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201

抑制剂 & 化合物

51

天然产物

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Cat. No.	Product Name	Target	Signaling Pathways
T0947	Dexamethasone acetate Dexamethasone 21-acetate,醋酸地塞米松,Dexamethason acetate,NSC 39471	Glucocorticoid Receptor; Mitophagy; IL Receptor; Annexin A; NOS; Antibacterial; Autophagy	Autophagy; Endocrinology/Hormones; GPCR/G Protein; Immunology/Inflammation; Microbiology/Virology
	Dexamethasone acetate (NSC 39471) 是一种糖皮质素类甾体，有抗炎和免疫抑制活性。它可研究眼部感染。
T33885	Parkeyl acetate
	Parkeyl acetate is a bioactive chemical.
TP1620	Cyclic MKEY
	MKEY, a synthetic cyclic peptide inhibitor of CXCL4-CCL5 heterodimer formation, has been shown to protect against atherosclerosis and aortic aneurysm formation by mediating inflammation, but whether it modulates neuroinflammation and brain injury has not
T78011	Cyclic MKEY TFA
	Cyclic MKEY TFA为CXCL4-CCL5异二聚体的合成环肽抑制剂，可通过调控炎症反应预防动脉粥样硬化和主动脉瘤。此外，该化合物亦能阻止小鼠中风后脑损伤的发生。
T60011	HS220	MAPK	MAPK
	HS220 是 TAK1 抑制剂，TAK1 在炎症和细胞存活的信号通路中起关键作用。
T19588	TP748 2-苄氧基恶唑	Others	Others
	TP748 是一种异恶唑，也是合成四环素的关键中间体。
T20318	Benzylideneaniline N-苄叉苯胺,N-Benzylideneaniline	Others	Others
	Benzylideneaniline (N-Benzylideneaniline) 是一种有效的木质芪-α,β-双加氧酶抑制剂，它是氧化裂解木质芪中心双键的关键酶。
T4659	ELN484228	Others	Others
	ELN484228 是一种 α-突触核蛋白的阻断剂。α-突触核蛋白是帕金森病中的关键蛋白质。
T10884	CRAC intermediate 1 5-(S)-Fluorowillardiine	Calcium Channel	Membrane transporter/Ion channel; Metabolism
	CRAC intermediate 1 (5-(S)-Fluorowillardiine)是用于CRAC 离子通道系列化合物合成的关键中间体。
T15140	DLinDMA	Others	Others
	DLinDMA 是一种稳定的核酸脂质颗粒 (SNALPs) 中的关键脂质成分，是一种可电离的阳离子脂质。它可用于siRNA 递送的研究。
T0637	2-Acetyl-6-methoxynaphthalene	Others	Others
	2-Acetyl-6-methoxynaphthalene 是naphthalene tome 和naproxen 的关键中间体，用于合成非甾体抗炎镇痛药。
T7201	Nelociguat N-[4,6-二氨基-2-[1-[(2-氟苯基)甲基]-1H-吡唑并[3,4-B]吡啶-3-基]-5-嘧啶]-氨基甲酸甲酯,BAY60-4552	Guanylate cyclase	GPCR/G Protein
	Nelociguat (BAY60-4552) 是一种一氧化氮敏感的可溶性鸟苷酸环化酶刺激剂。
T5015	Gonadorelin Acetate (33515-09-2 free base) 醋酸戈那瑞林,Luteinizing Hormone Releasing Hormone (LH-RH),Luteinizing Hormone Releasing Hormone (LH-RH), human,Gonadorelin Acetate	Reductase	Endocrinology/Hormones; Metabolism
	Gonadorelin Acetate (33515-09-2 free base) (Luteinizing Hormone Releasing Hormone (LH-RH)) 是下丘脑神经肽，在控制生殖功能中起关键作用。
T9208	1,3,6,8-Tetrahydroxynaphthalene T4HN,1,3,6,8-THN,naphthalene-1,3,6,8-tetrol	Others	Others
	1,3,6,8-Tetrahydroxynaphthalene (T4HN) 是一种独特的对称聚酮起源化合物，是 DHN 黑色素不可缺少的前体。
T12896L	Shepherdin 79-87 acetate Shepherdin 79-87 acetate (861224-28-4 free base)	HSP; Survivin	Apoptosis; Cytoskeletal Signaling; Metabolism
	Shepherdin 79-87 acetate 是 Hsp90 和 survivin 之间复合物的拟肽拮抗剂，survivin 是肿瘤细胞活力的另一个关键调节剂。
T29856	Aleplasinin PAZ 417,PAZ417,PAZ-417	PAI-1	Metabolism
	Aleplasinin (PAZ 417) 是纤溶酶原激活物抑制剂 1 (PAI-1) 的选择性和口服活性抑制剂，是纤溶系统的关键负调节剂。 Aleplasinin 可用于阿尔茨海默病研究。
T2280	Endoxifen (Z-isomer) Z-因多昔芬,Endoxifen Z-isomer,4-[(1E)-1-{4-[2-(甲基氨基)乙氧基]苯基}-2-苯基-1-丁烯-1-基]苯酚	Estrogen Receptor/ERR; EGFR; Potassium Channel; Estrogen/progestogen Receptor; HER	Angiogenesis; Endocrinology/Hormones; JAK/STAT signaling; Membrane transporter/Ion channel; Tyrosine Kinase/Adaptors
	Endoxifen Z-isomer (EDX)是 Tamoxifen 重要的代谢产物,在表达 ERα的乳腺癌细胞中发挥抗雌激素作用。它以浓度依赖的方式抑制 hERG, IC50值为1.6μM。
T1869	PluriSIn 1 4-吡啶羧酸 2-苯基酰肼,NSC 14613,PluriSIn #1,PluriSln 1	Apoptosis; Dehydrogenase; Stearoyl-CoA Desaturase (SCD)	Apoptosis; Metabolism
	PluriSIn 1 (NSC 14613) 是一种酰基-辅酶 A 去饱和酶抑制剂，是一种多能细胞特异性的抑制剂。
T11265	Faropenem daloxate 法罗培南酯,Faropenem medoxil	Antibacterial; Antibiotic	Microbiology/Virology
	Faropenem daloxate (Faropenem medoxil) 是β-内酰胺类口服抗生素。
T9697	ASK1-IN-1	ASK	Apoptosis
	ASK1-IN-1 是一种凋亡信号调节激酶 1（SK1）抑制剂，具有良好的效价 (细胞IC50=138 nM; BiochemicalIC50=21 nM)。ASK1-IN-1具有中枢神经系统渗透性。
T21249L	Myristoyl Pentapeptide-17 Acetate Myristoyl Pentapeptide-17 Acetate(959610-30-1 Free base)	Others	Others
	Myristoyl Pentapeptide-17 Acetate 是一种小肽。促进关键成分的输送，从而有效促进睫毛生长，使睫毛变长变浓密，强韧秀发，显着强化眼部表情。
TP2358	KRPEP-2D acetate	Raf	MAPK
	KRPEP-2D acetate 被鉴定为针对 K-Ras 的 G12D 突变体的 K-Ras(G12D) 选择性抑制肽，K-Ras 是 Ras 蛋白家族的关键成员和有吸引力的癌症治疗靶点。
T4414	Eprenetapopt APR-246,PRIMA-1Met	Apoptosis; Others; Ferroptosis; p53; Autophagy	Apoptosis; Autophagy; Others
	Eprenetapopt (PRIMA-1Met) 是一种在 TP53突变细胞中恢复野生型 p53功能的小分子，可引发肿瘤细胞凋亡，还抑制硒蛋白硫氧还蛋白还原酶 1。
T9462	2-Amino-6-cyclopropylamino-9H-purine	Others	Others
	2-Amino-6-cyclopropylamino-9H-purine 是阿巴卡韦(abacavir) 的关键中间体，以氰基乙酸乙酯为原料，经亚硝化、盐酸胍在 EtONa 存在下环合、还原得到2,4,5-三氨基-6-羟基嘧啶
T39584	MI-3454
	MI-3454 is a highly potent, orally active, and selective inhibitor of the interaction between menin and MLL1, with an IC50 of 0.51 nM. This compound effectively inhibits the proliferation of leukemic cells and promotes their differentiation, leading to the regression or complete remission of leukemia in mouse models featuring MLL1 rearrangements or NPM1 mutations. This remarkable therapeutic effect is achieved through the downregulation of key genes involved in the development of leukemia.
T50030	1-(2,4-difluorophenyl)guanidine hydrochloride	Others	Others
	1-(2,4-difluorophenyl)guanidine hydrochloride 是一种化合物，是电压门控钠通道Nav1.7的强效选择性抑制剂，Nav1.7是疼痛信号传输的关键参与者，因此它能够减少疼痛信号的传递，从而产生镇痛作用。
T1497	Liranaftate Piritetrate,利拉萘酯,M-732	Antifungal	Microbiology/Virology
	Liranaftate (Piritetrate) 是一种具有抗真菌活性的硫代氨基甲酸酯和角鲨烯环氧酶抑制剂，可研究皮肤癣菌。
TP1359L	Amyloid β Peptide (42-1)(human) acetate Amyloid β Peptide (42-1)(human) acetate(317366-82-8 free base)	Beta Amyloid	Neuroscience
	Amyloid β Peptide (42-1)(human) acetate 是淀粉样蛋白 β 肽 (1-42) 的无活性形式。Amyloid β Peptide (42-1)(human) acetate 是由 42 个氨基酸组成的肽，其在阿尔茨海默病的发病机制中起关键作用。
TP1820L	Osteogenic Growth Peptide, OGP acetate Osteogenic Growth Peptide, OGP acetate(132996-61-3 free base)	Others	Others
	Osteogenic Growth Peptide, OGP acetate(132996-61-3 free base) 是一种短的、天然存在的 14 聚体生长因子肽，存在于血清中，浓度为 μM。成骨生长肽 OGP 是局部骨髓损伤全身成骨反应机制的关键因素。
T77194L	D-Ribose 5-phosphate disodium dihydrate
	D-Ribose 5-phosphate disodium dihydrate 是戊糖磷酸途径 (PPP) 氧化分支的中间产物，是 PPP 非氧化分支的终产物。D-Ribose 5-phosphate 用于核苷酸和核酸的合成。
TP2137L	pp60 c-src (521-533) (phosphorylated) acetate	Others	Others
	pp60 c-src (521-533) (phosphorylated) acetate 是粘着斑形成和细胞扩散的调节剂。它还调节细胞运动，是由促运动透明质酸受体 RHAMM 触发的信号通路中的关键成分。
T3520	Setipiprant KYTH-105,塞替匹仑,ACT-129968	GPR; Prostaglandin Receptor	Endocrinology/Hormones; GPCR/G Protein; Immunology/Inflammation
	Setipiprant (ACT-129968) 是一种口服的选择性 CRTH2 拮抗剂，IC50为6.0 nM。
T67835	LKM38
	LKM38是一种新型的重氮烷基胆固醇探针，是一种有前途的胆固醇模拟物。LKM38既能维持抗胆固醇细胞的生长，又能适当地调节关键的胆固醇平衡途径。LKM38可以作为研究胆固醇蛋白相互作用和贩运的有力工具。
T77597	SXC 2023 (S)-2-acetamido-3-(4-methylbenzoylthio)propanoic acid	Others	Others
	SXC 2023 ((S)-2-acetamido-3-(4-methylbenzoylthio)propanoic acid) 是一种可治疗中枢神经疾病和神经认知障碍的N-乙酰-L-半胱氨酸的前药，可用于治疗谷氨酸能功能障碍和氧化应激起关键作用的精神疾病。
T67729	UCM-1306	Dopamine Receptor	GPCR/G Protein; Neuroscience
	UCM-1306 是具有口服活性的人多巴胺 D1 受体变构调节剂 (PAM)。UCM-1306 增加结合在人和小鼠 D1 受体的内源性多巴胺 (DA) 效应。UCM-1306可以改善运动症状，解决与长期帕金森病(PD) 相关的关键共病认知障碍。
T21872	CCT018159	Apoptosis; HSP	Apoptosis; Cytoskeletal Signaling; Metabolism
	CCT018159 是一种 3,4-二芳基吡唑间苯二酚，是一种 ATP 竞争性HSP90ATPase 抑制剂，对人 Hsp90β 和酵母 Hsp90 具有抑制作用，IC50分别为 3.2 和 6.6 μM。CCT018159 抑制与侵袭和血管生成有关的关键内皮细胞和肿瘤细胞功能。CCT018159 引起与 G1 期阻滞相关的细胞抑制并诱导细胞凋亡。
T4473	Ibiglustat Venglustat,SAR402671,GZ402671	Transferase	Metabolism
	Ibiglustat (GZ402671) 是一种可透过血脑屏障的、具有口服活性的葡萄糖神经酰胺合成酶(GCS)抑制剂。它可用于戈谢病 3 型、法布瑞氏症、与 GBA 突变相关的帕金森病、GM2 神经节苷脂病和常染色体显性多囊肾病的研究。
T1185	Rofecoxib MK 966,罗非昔布,罗非考昔,MK-0966	COX	Immunology/Inflammation; Neuroscience
	Rofecoxib (MK 966) 是可口服的 COX-2特异性抑制剂，具有抗炎、解热和镇痛特性以及潜在的抗肿瘤特性。在人骨肉瘤细胞和中国仓鼠卵巢细胞中，对人 COX-2 的 IC50值分别为 26 和 18 nM。
T3716	Rolapitant 罗拉吡坦,SCH619734,罗拉匹坦	Neurokinin receptor	GPCR/G Protein; Neuroscience
	Rolapitant (SCH619734) 是一种高效选择性具有口服活性的神经激肽 1 受体抑制剂，Ki 值为0.66 nM。
T71704	Navamepent RX-10045	Others	Others
	Navamepent (RX-10045) 是 resolvin E1 (一种膳食-3多不饱和脂肪酸代谢物)的类似物，具有强大的抗炎活性，可减少角膜炎症、上皮损伤，加速角膜组织修复。Navamepent 可抑制角膜上皮细胞释放几种关键促炎介质。Navamepent 对干眼和杯状细胞损失非常有效，可加速泪液的产生。
T6509	Galeterone VN-124-1,TOK-001,VN/124-1,VN 124	P450; Androgen Receptor	Endocrinology/Hormones; Metabolism
	Galeterone (VN 124) 是CYP17抑制剂，能够多功能的抗雄激素，在去势抵抗性前列腺癌中，其IC50值为 47 nM。
T9108	BI-0115	Lipoxygenase	Metabolism
	BI-0115 是LOX-1的选择性抑制剂，其IC50值为 5.4 µM，可以阻止细胞摄取氧化低密度脂蛋白。它通过形成同源二聚体配体结合域的二聚体来触发受体抑制。
T3024	Avitinib AC0010,艾维替尼	EGFR; JAK; BTK	Angiogenesis; Chromatin/Epigenetic; JAK/STAT signaling; Stem Cells; Tyrosine Kinase/Adaptors
	Avitinib (AC0010) 是一种不可逆的、突变体选择性的EGFR 抑制剂，可有效抑制非小细胞肺癌中EGFR T790M 耐药突变。阿比替尼也是一种新型BTK 抑制剂。
T4260	Capmatinib 2HCl INC-280 2HCl,INCB28060盐酸盐,INCB28060 2HCl	c-Met/HGFR	Tyrosine Kinase/Adaptors
	Capmatinib 2HCl (INC-280 2HCl) 是一种新型的 ATP 竞争性 c-MET 激酶抑制剂，IC50 为 0.13 nM。它具有皮摩尔酶效，对 c-MET 具有高度特异性，选择性超过 10, 000 倍一大组人类激酶。该抑制剂在 c-MET 依赖性肿瘤细胞系中有效阻断 c-MET 磷酸化和其关键下游效应子的激活。因此，它在体外有效抑制 c-MET 依赖性肿瘤细胞增殖和迁移，并有效诱导细胞凋亡。
T35610	2,5-dimethyl Celecoxib	Apoptosis; Wnt/beta-catenin; Prostaglandin Receptor	Apoptosis; Cytoskeletal Signaling; GPCR/G Protein; Immunology/Inflammation; Stem Cells
	2,5-dimethyl Celecoxib 是塞来昔布衍生物和微粒体前列腺素 E 合酶 1 (mPGES-1) 的靶向抑制剂，mPGES-1 是炎症介质 PGE2 合成途径中的关键酶。
T3226	Paritaprevir ABT-450,Veruprevir,帕利瑞韦	HCV Protease	Microbiology/Virology; Proteases/Proteasome
	Paritaprevir (ABT-450) 是一种口服生物可利用的合成酰基磺酰胺抑制剂，可抑制丙型肝炎病毒 (HCV) 蛋白酶复合物，由非结构蛋白 3 和 4A (NS3/NS4A) 组成，对 HCV 基因型 1 具有潜在活性。给药后，paritaprevir 可逆地结合 HCV NS3/NS4A 蛋白酶的活性中心和结合位点，并阻止 NS3/NS4A 蛋白酶介导的多蛋白成熟。这会破坏病毒蛋白的加工和病毒复制复合物的形成，从而抑制病毒在 HCV 基因型 1 感染的宿主细胞中的复制。 NS3 是一种丝氨酸蛋白酶，对于 HCV 多蛋白内多个位点的蛋白水解切割至关重要，并且在 HCV 核糖核酸 (RNA) 复制过程中起关键作用。 NS4A 是 NS3 的激活因子。 HCV 是属于黄病毒科的一种小的、有包膜的单链 RNA 病毒，感染与肝细胞癌 (HCC) 的发展有关。
T30806	CFLZ-567
	CFLZ-567 is a key intermediate for making carfilzomib.
T21342	CFLZ-171 TFA salt
	CFLZ-171 is a key intermediate for the synthesis of carfilzomib.
T28211	NSC-668036
	NSC-668036 is an inhibitor of Dishevelled (Dvl) protein, a key protein in wnt signaling.
T12557	PROTAC BET-binding moiety 1	Others	Others
	PROTAC BET-binding moiety 1 is a key intermediate in the synthesis of high affinity BET inhibitors

化合物

Dexamethasone acetate

Cat.No: T0947

Synonym: Dexamethasone 21-acetate,醋酸地塞米松,Dexamethason acetate,NSC 39471

Target: Glucocorticoid Receptor, Mitophagy, IL Receptor, Annexin A, NOS, Antibacterial, Autophagy

Parkeyl acetate

Cat.No: T33885

Cat.No: TP1620

Cyclic MKEY TFA

Cat.No: T78011

Cat.No: T60011

Target: MAPK

Cat.No: T19588

Synonym: 2-苄氧基恶唑

Target: Others

Benzylideneaniline

Cat.No: T20318

Synonym: N-苄叉苯胺,N-Benzylideneaniline

Target: Others

Cat.No: T4659

Target: Others

CRAC intermediate 1

Cat.No: T10884

Synonym: 5-(S)-Fluorowillardiine

Target: Calcium Channel

Cat.No: T15140

Target: Others

2-Acetyl-6-methoxynaphthalene

Cat.No: T0637

Target: Others

Cat.No: T7201

Synonym: N-[4,6-二氨基-2-[1-[(2-氟苯基)甲基]-1H-吡唑并[3,4-B]吡啶-3-基]-5-嘧啶]-氨基甲酸甲酯,BAY60-4552

Target: Guanylate cyclase

Gonadorelin Acetate (33515-09-2 free base)

Cat.No: T5015

Synonym: 醋酸戈那瑞林,Luteinizing Hormone Releasing Hormone (LH-RH),Luteinizing Hormone Releasing Hormone (LH-RH), human,Gonadorelin Acetate

Target: Reductase

1,3,6,8-Tetrahydroxynaphthalene

Cat.No: T9208

Synonym: T4HN,1,3,6,8-THN,naphthalene-1,3,6,8-tetrol

Target: Others

Shepherdin 79-87 acetate

Cat.No: T12896L

Synonym: Shepherdin 79-87 acetate (861224-28-4 free base)

Target: HSP, Survivin

Cat.No: T29856

Synonym: PAZ 417,PAZ417,PAZ-417

Target: PAI-1

Endoxifen (Z-isomer)

Cat.No: T2280

Synonym: Z-因多昔芬,Endoxifen Z-isomer,4-[(1E)-1-{4-[2-(甲基氨基)乙氧基]苯基}-2-苯基-1-丁烯-1-基]苯酚

Target: Estrogen Receptor/ERR, EGFR, Potassium Channel, Estrogen/progestogen Receptor, HER

Cat.No: T1869

Synonym: 4-吡啶羧酸 2-苯基酰肼,NSC 14613,PluriSIn #1,PluriSln 1

Target: Apoptosis, Dehydrogenase, Stearoyl-CoA Desaturase (SCD)

Faropenem daloxate

Cat.No: T11265

Synonym: 法罗培南酯,Faropenem medoxil

Target: Antibacterial, Antibiotic

Cat.No: T9697

Target: ASK

Myristoyl Pentapeptide-17 Acetate

Cat.No: T21249L

Synonym: Myristoyl Pentapeptide-17 Acetate(959610-30-1 Free base)

Target: Others

KRPEP-2D acetate

Cat.No: TP2358

Target: Raf

Cat.No: T4414

Synonym: APR-246,PRIMA-1Met

Target: Apoptosis, Others, Ferroptosis, p53, Autophagy

2-Amino-6-cyclopropylamino-9H-purine

Cat.No: T9462

Target: Others

Cat.No: T39584

1-(2,4-difluorophenyl)guanidine hydrochloride

Cat.No: T50030

Target: Others

Cat.No: T1497

Synonym: Piritetrate,利拉萘酯,M-732

Target: Antifungal

Amyloid β Peptide (42-1)(human) acetate

Cat.No: TP1359L

Synonym: Amyloid β Peptide (42-1)(human) acetate(317366-82-8 free base)

Target: Beta Amyloid

Osteogenic Growth Peptide, OGP acetate

Cat.No: TP1820L

Synonym: Osteogenic Growth Peptide, OGP acetate(132996-61-3 free base)

Target: Others

D-Ribose 5-phosphate disodium dihydrate

Cat.No: T77194L

pp60 c-src (521-533) (phosphorylated) acetate

Cat.No: TP2137L

Target: Others

Cat.No: T3520

Synonym: KYTH-105,塞替匹仑,ACT-129968

Target: GPR, Prostaglandin Receptor

Cat.No: T67835

Cat.No: T77597

Synonym: (S)-2-acetamido-3-(4-methylbenzoylthio)propanoic acid

Target: Others

Cat.No: T67729

Target: Dopamine Receptor

Cat.No: T21872

Target: Apoptosis, HSP

Cat.No: T4473

Synonym: Venglustat,SAR402671,GZ402671

Target: Transferase

Cat.No: T1185

Synonym: MK 966,罗非昔布,罗非考昔,MK-0966

Target: COX

Cat.No: T3716

Synonym: 罗拉吡坦,SCH619734,罗拉匹坦

Target: Neurokinin receptor

Cat.No: T71704

Synonym: RX-10045

Target: Others

Cat.No: T6509

Synonym: VN-124-1,TOK-001,VN/124-1,VN 124

Target: P450, Androgen Receptor

Cat.No: T9108

Target: Lipoxygenase

Cat.No: T3024

Synonym: AC0010,艾维替尼

Target: EGFR, JAK, BTK

Capmatinib 2HCl

Cat.No: T4260

Synonym: INC-280 2HCl,INCB28060盐酸盐,INCB28060 2HCl

Target: c-Met/HGFR

2,5-dimethyl Celecoxib

Cat.No: T35610

Target: Apoptosis, Wnt/beta-catenin, Prostaglandin Receptor

Cat.No: T3226

Synonym: ABT-450,Veruprevir,帕利瑞韦

Target: HCV Protease

Cat.No: T30806

CFLZ-171 TFA salt

Cat.No: T21342

Cat.No: T28211

PROTAC BET-binding moiety 1

Cat.No: T12557

Target: Others

Cat. No.	Product Name	Target	Signaling Pathways
T5804	Pneumocandin B0 纽莫康定B0,L-688786	Antibiotic; Antifungal	Microbiology/Virology
	Pneumocandin B0 (L-688786)是 Cancidas 的合成中间体。
T7479	Ambroxide 降龙涎香醚,(-)-Ambroxide	Others	Others
	Ambroxide ((-)-Ambroxide) 是龙涎香的一种关键成分，是天然存在的萜类化合物。
TN1243	3-Aminocoumarin 3-Amino-2-benzopyrone,3-aminochromen-2-one,Coumarin amine	Others	Others
	3-Aminocoumarin (3-aminochromen-2-one) 是金属配合物的关键中间体。
T20255	L-Galactose Galactose, L-	Endogenous Metabolite	Metabolism
	L-Galactose (Galactose, L-) 是一种天然产物，广泛存在动植物体内。L-Galactose 在Pistia stratiotes 中被证明是D-葡萄糖转化为草酸的分子途径中的关键中间体。
T8051	Bis(2-methyl-3-furyl)disulfide 双(2-甲基-3-呋喃基)二硫,Bis(2-methyl-3-furyl)disulphide	Others	Others
	Bis(2-methyl-3-furyl)disulfide 是调味剂，能够增强与牛奶相关的产品的自然感，清新感。
T22300	Creatine monohydrate Methylguanidoacetic acid monohydrate,一水肌酸	Others; Endogenous Metabolite	Metabolism; Others
	Creatine monohydrate (Methylguanidoacetic acid monohydrate) 是磷酸原能量系统的关键参与者，尤其是在肌肉和大脑中。 Creatine monohydrate 是高强度、短期活动中 ATP 的主要来源。
T4921	Oxoadipic acid 2-氧代己二酸,2-Oxoadipic acid	Endogenous Metabolite	Metabolism
	Oxoadipic acid (2-Oxoadipic acid) 是必需氨基酸色氨酸和赖氨酸的一种代谢物。
T6S0655	Corynoxeine	ERK	MAPK
	Corynoxeine 是从钩藤中分离的一种天然产物，是 PDGF-BB 诱导血管平滑肌细胞 (VSMCs) 增殖过程中的 ERK1/ERK2抑制剂。
TN3689	Comanthoside A Comanthosid A	Others	Others
	Comanthoside A (Comanthosid A) 是一种可从 Comanthosphace japonica 中分离的天然黄酮苷。Comanthoside A 也是合成 Linaroside和 Comanthoside B 的关键中间体。
T10939L	L-Cystathionine L-胱硫醚,Cystathionine,ZINC1532680,L-(+)-Cystathionine,Cystathionine, L-	Apoptosis; Endogenous Metabolite	Apoptosis; Metabolism
	L-Cystathionine (Cystathionine, L-) 是一种与含硫氨基酸的代谢条件有关的关键非蛋白质氨基酸。L-Cystathionine 可用于有关心血管保护的研究。
T5980	2-Ketoglutaric acid α-酮戊二酸,alpha-酮戊二酸	Tyrosinase; Endogenous Metabolite	Metabolism; Proteases/Proteasome
	2-Ketoglutaric acid 是 Krebs 循环的中间体，可以产生 ATP 或 GTP 。2-Ketoglutaric acid 还充当氮同化反应的主要碳骨架。2-Ketoglutaric acid 是酪氨酸酶(tyrosinase)的可逆抑制剂 (IC50=15 mM)。
T13502	3-Oxo-5β-cholanoic acid 3-氧代-5β-胆烷酸,Dehydrolithocholic acid	ROR	Metabolism
	3-Oxo-5β-cholanoic acid (Dehydrolithocholic acid) 是胆汁酸的一种代谢产物。3-Oxo-5β-cholanoic acid 直接与关键转录因子RORγt(Kd=1.13 μM) 结合抑制TH17细胞分化。
T5770	Alisol B	RANKL/RANK	NF-κB
	Alisol B 是一种具有用于骨科疾病研究潜力的化合物，通过分化破骨细胞发挥其功能。
T2O2701	L-Ornithine hydrochloride L(+)-Ornithine hydrochloride,(S)-2,5-Diaminopentanoic acid,L-鸟氨酸盐酸盐;L-2,5-二氨基戊酸盐酸盐;L-鸟氨酸单盐酸盐;鸟氨酸盐酸盐;L-盐酸鸟氨酸;L-鸟粪氨基酸盐酸盐	Others; Endogenous Metabolite	Metabolism; Others
	L-Ornithine hydrochloride ((S)-2,5-Diaminopentanoic acid) 通过提高能量消耗效率和促进氨的排泄而具有抗疲劳作用。它是尿素循环中的关键反应物之一。
T21437	DSPS Phosphatidylserine(36:0),磷脂酰丝氨酸,Dioctadecanoylphosphatidylserine,Distearoyl phosphatidylserine	Others	Others
	DSPS (Dioctadecanoylphosphatidylserine) 是一种甘油磷脂，是重要的磷脂膜成分，在细胞周期信号传导中起关键作用。DSPS 可以调节细胞活性，介导细胞凋亡。DSPS 被广泛用作营养补充剂。
T22446	NADP disodium salt Disodium NADP,Triphosphopyridine nucleotide disodium salt,beta-烟酰胺腺嘌呤二核苷酸磷酸二钠盐	Others	Others
	NADP disodium salt (Disodium NADP) 是一种氧化还原辅助因子，是一种烟酰胺腺嘌呤二核苷酸。它是代谢中电子转移的关键辅因子，可以被交替氧化 (NADP+) 和还原 (NADPH)。
T5249	1,2-Distearoyl-sn-glycero-3-phosphorylethanolamine 1,2-DSPE,1,2-二硬酯酰-SN-甘油-3-磷酰乙醇胺,1,2-Distearoyl-sn-glycero-3-phosphoethan	Others; Endogenous Metabolite	Metabolism; Others
	1,2-Distearoyl-sn-glycero-3-phosphorylethanolamine (1,2-DSPE) 是一种磷脂酸乙醇胺 (PE) ，能够用于合成脂质体。
T10065L	2',3'-cGAMP sodium 2'-3'-cyclic GMP-AMP sodium	STING; cGAS	Immunology/Inflammation
	2',3'-cGAMP sodium (2'-3'-cyclic GMP-AMP sodium) 是一种cGAMP 合成酶(cGAS)影响细胞质DNA 产生的第二信使，是一种跨膜衔接蛋白，是细胞对致病性细胞质DNA 的先天免疫反应的关键组成部分。
T2133	Adenosine monophosphate 5'-Adenylic acid,5'-腺嘌呤核苷酸,AMP,Adenosine 5'-monophosphate	Endogenous Metabolite; AMPK	Chromatin/Epigenetic; Metabolism; PI3K/Akt/mTOR signaling
	Adenosine monophosphate (AMP) 是一种嘌呤核糖核苷5'-单磷酸腺苷，是信号转导和调节能量稳态的关键细胞代谢物。它具有EC 3.1.3.11(果糖-二磷酸酶)抑制剂、EC 3.1.3.1(碱性磷酸酶)抑制剂和腺苷A1受体激动剂的作用。
T4928	L-Kynurenine L-犬尿氨酸,(S)-Kynurenine	AhR; Aryl Hydrocarbon Receptor; Endogenous Metabolite	Immunology/Inflammation; Metabolism
	L-Kynurenine ((S)-Kynurenine) 是L-色氨酸的代谢物，是芳香烃受体激动剂，可抑制同种异体 T 细胞增殖并增加恶性 U87 神经胶质瘤细胞侵入胶原基质。
T4920	2-Ketoglutaric acid Sodium Oxoglutaric acid,AKG,2-oxoglutarate monobasic,LPHA-酮戊二酸钠,α-Ketoglutaric acid sodium salt	Tyrosinase; Endogenous Metabolite	Metabolism; Proteases/Proteasome
	2-Ketoglutaric acid Sodium (AKG) 是一种三羧酸循环的中间产物，它可以由谷氨酸通过谷氨酸脱氢酶氧化脱氨产生，也可以作为磷酸吡哆醛依赖的转氨化反应的产物(由支链氨基酸转氨酶介导)，其中谷氨酸是常见的氨基供体。
T5079	Adenosine 5'-diphosphate sodium salt 腺苷-5‘-二磷酸钠盐,Adenosine-5'-diphosphate trisodium salt,ADP sodium salt	Others; Endogenous Metabolite	Metabolism; Others
	Adenosine 5'-diphosphate sodium salt (ADP sodium salt) 是一种核苷二磷酸，是一种 ATP 酶对 ATP 去磷酸化的产物。它通过在 P2T-嘌呤受体上的作用诱导人血小板聚集并抑制刺激的腺苷酸环化酶。
T5243	(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl ditetradecanoate DMPE,1,2-十四酰基磷脂酰乙醇胺,1,2-Dihexadecanoyl-sn-glycero-3-phosphoethanolamine,1,2-Dimyristoyl-sn-glycero-3-PE	Others; Endogenous Metabolite	Metabolism; Others
	(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl ditetradecanoate (DMPE) 是内源性代谢产物的一种。
TN6508	Trachelogenin (-)-Trachelogenin	Virus Protease; c-Myc; HCV Protease; Wnt/beta-catenin	Cell Cycle/Checkpoint; Cytoskeletal Signaling; Microbiology/Virology; Proteases/Proteasome; Stem Cells
	Trachelogenin ((-)-Trachelogenin) 分离自Combretum fruticosum，是一种 HCV 进入抑制剂具有抗增殖作用，其机制与影响β-Catenin 信号通路中的 β-Catenin、c-Myc 和 GSK3 等关键蛋白的磷酸化有关，且呈浓度依赖性。Trachelogenin具有抗病毒、抗炎和镇痛活性，在 HCVcc 和 HCVpp 模型中的 IC50 分别为 0.325 和 0.259 μg/mL。
T2966	Beta-Sitosterol Cupreol,谷甾醇,Beta-Sitosterol,β-Sitosterol,Azuprostat,SKF 14463,beta-谷甾醇,22,23-Dihydrostigmasterol,Betaprost	Apoptosis; Lipase; Endogenous Metabolite	Apoptosis; Metabolism
	Beta-Sitosterol (SKF 14463) 是一种植物甾醇，干扰细胞周期、细胞凋亡、增殖、存活、侵袭、血管生成和炎症等多种细胞信号通路。
T4889	2,6-Diaminoheptanedioic acid	Others; Endogenous Metabolite	Metabolism; Others
	2,6-Diaminoheptanedioic acid 是内源性代谢产物的一种。
T6S1572	Sauchinone	ERK; p38 MAPK; NF-κB	MAPK; NF-κB
	Sauchinone 是一种从Saururus chinensis 中获得的非对映异构的木脂素。它通过抑制I-κBα磷酸化和p65核易位来抑制 LPS 诱导的 iNOS，TNF-α 和 COX-2 表达。它具有抗炎和抗氧化活性。
T6S1315	Oroxylin A 千层纸素A,6-Methoxybaicalein,Baicalein 6-methyl ether	Virus Protease; HIF/HIF Prolyl-Hydroxylase; Autophagy	Autophagy; Chromatin/Epigenetic; Metabolism; Microbiology/Virology
	Oroxylin A (Baicalein 6-methyl ether) 是一种有活性的黄酮，具有较强的抗癌作用。
T4838	(S)-Malic acid L-(-)-Malic acid,(S)-(-)-HYDROXYSUCCINIC ACID,(S)-2-Hydroxysuccinic acid,L-苹果酸	Others; Endogenous Metabolite	Metabolism; Others
	(S)-Malic acid ((S)-2-Hydroxysuccinic acid) 是天然存在的二羧酸，是水果酸甜味的来源，常用作食品添加剂。
T20447	L-Linalool p-Linalool
	L-Linalool is the jasmine tea, spruce essential oil, and young leaves of Litchi chinensis Sonn key volatile compound.
T40758	Hydrastinine
	Hydrastinine, a key alkaloid component found in Hydrastis canadensis (goldenseal), serves as an effective hemostatic agent.
T13732	Hydroxy-Epsilon-Sanshool	Others	Others
	Hydroxy-Epsilon-Sanshool is an alkyl amide isolated from Zanthoxylum bungeanum. Hydroxy-Epsilon-Sanshool produces key tingling and numbing chemosensation.
T10025	1-PeCSO S-1-Propenyl-L-cysteine sulfoxide	Others	Others
	1-PeCSO is isolated from onion or garlic bulbs. It acts as a key compound in garlic greening and reacts with lachrymatory factor synthase.
T20628	Kifunensine
	Kifunensine, a potent and selective inhibitor of class I α-mannosidases, may serve as a key inhibitor of glycoprotein biosynthesis. Its inhibitory effect may lead to high mannose glycoproteins in cell culture.
T10074	2-Keto-D-Glucose D-Glucosone	Others	Others
	2-Keto-D-Glucose (D-Glucosone) is a key intermediate in a secondary metabolic pathway leading to the antibiotic Cortalcerone. It is found in various natural sources, including fungi, algae, and shellfish.
TN4473	Macrocarpal A	Antifection	Microbiology/Virology
	Macrocarpal A is the key component that stimulates the synthesis of ceramide in the stratum corneum. Macrocarpal A has cytotoxic, and antibacterial activities.
T40458	3-Keto petromyzonol
	3-Keto petromyzonol, a key constituent of Sea lamprey male sex pheromones, governs the synthesis and release of gonadotropin releasing hormone (GnRH). This in turn regulates the hypothalamic-pituitary-gonadal (HPG) output in immature sea lamprey.
T80953	Tremulacin
	Tremulacin为Populus树皮及其叶子中的关键糖苷组分。
TN1952	Moracin P 桑辛素 P,桑辛素P	Others; ROS; HIF	Angiogenesis; Chromatin/Epigenetic; Immunology/Inflammation; Others
	Moracin P exhibits potent in vitro inhibitory activity against hypoxia-inducible factor (HIF-1), which is a key mediator during adaptation of cancer cells to tumour hypoxia.
TN4016	Ethyl 2,4,6-trihydroxybenzoate	Liver X Receptor	Metabolism
	Ethyl 2,4,6-trihydroxybenzoate is a dual-LXR modulator that regulates the expression of key genes in cholesterol homeostasis in multiple cells without inducing lipid accumulation in HepG2 cells. It suppresses cellular cholesterol accumulation in a dose-dependent manner and induces the transcriptional activation of LXR-α/-β-responsive genes.
T10194	7-Methylguanine	Others	Others
	7-Methylguanine is a metabolite of DNA methylation. It can be generated by methylating agents and used as a probe of DNA–protein interactions and a key component of the DNA sequencing method.
T10910	Cycloartenol	Others	Others
	Cyclopentanol is a plant sterol compound and one of the key precursors for biosynthesis of various sterol compounds. Cycloartenol inhibits the migration of glioma cells and inhibits the phosphorylation of p38 MAP kinase. Cycloenol has various pharmacologi
TN3725	Cucurbitadienol
	Cucurbitadienol has significant anti-inflammatory, anti-tumor effect, is also CucurbitacinBE compounds biosynthesis the key intermediate. Cucurbitadienol synthase, the first committed enzyme for cucurbitacin biosynthesis, is a distinct enzyme from cycloar
TN1783	Isolicoflavonol 异甘草黄酮醇	Lipid	Metabolism
	Isolicoflavonol 以可逆和混合的方式抑制人羧酸酯酶2介导的荧光素二乙酸酯水解， Ki 小于1.0 μM。
T83902	Polymyxin E1 sulfate Colistin A sulfate
	Polymyxin E1，是一种肽类抗生素，也是原初从B. polymyxa分离得到的阳离子脂肽抗生素colistin的主要成分。对P. aeruginosa和E. coli具有活性（MICs分别为2和0.8 µg/ml）。
TN6198	Mahanine
	Mahanine has effects on the activation of the apoptotic pathway in human leukemia U937 cells, causes the mitochondrial membranes to lose their permeability, resulting in caspase-3 activation and apoptosis. Mahanine can reverse an epigenetically silenced g
TN1951	Moracin O 桑辛素 O,桑辛素O	HIF	Angiogenesis; Chromatin/Epigenetic
	Moracin O shows significant neuroprotective, and analgesic activities, it also has a strong protective influence against doxorubicin-induced cardiomyopathy in H9c2 cells with the EC50 value of 4.5 ± 1.3 μM. Moracin O exhibits potent in vitro inhibitory ac
T83904	Polymyxin E2 sulfate Colistin B sulfate
	Polymyxin E2 是一种肽类抗生素，也是最初从B. polymyxa分离出的阳离子脂肽抗生素colistin的主要成分。该化合物对植物致病菌X. oryzae具有活性（EC50 = 0.21 µg/ml），并且在温室研究中，当以200 µg/ml的浓度应用时，能够预防和逆转水稻细菌性叶枯病。
T82822	Brassicanate A sulfoxide
	Brassicanate A sulfoxide 表现出除草效果，它能抑制植物中必需氨基酸的生物合成路径。该化合物通过结合并抑制多种酶的活性来发挥其作用，包括二羟酸脱水酶 (DHAD)、羟甲基丙酮酸双加氧酶 (HPPD)、乙酰乳酸合酶 (ALS)、PYL家族蛋白及转运抑制剂响应 1 (TIR1)。Brassicanate A sulfoxide 可以从甘蓝 (Brassica oleracea) 中提取获得。
T72581	SARS-CoV MPro-IN-2
	SARS-CoVMPro-IN-2 是一种有效的SARS-CoV-2 Mpro 抑制剂，IC50sub>值为 72.07 nM。病毒的主要蛋白酶 Mpro 作为加工病毒多蛋白的主要酶，有助于 SARS-CoV-2 在宿主细胞中的复制和转录，并已被定性为药物发现的有吸引力的靶点。SARS-CoVMPro-IN-2 具有研究 COVID-19 的潜力。
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天然产物

Pneumocandin B0

Cat.No: T5804

Synonym: 纽莫康定B0,L-688786

Target: Antibiotic, Antifungal

Cat.No: T7479

Synonym: 降龙涎香醚,(-)-Ambroxide

Target: Others

3-Aminocoumarin

Cat.No: TN1243

Synonym: 3-Amino-2-benzopyrone,3-aminochromen-2-one,Coumarin amine

Target: Others

Cat.No: T20255

Synonym: Galactose, L-

Target: Endogenous Metabolite

Bis(2-methyl-3-furyl)disulfide

Cat.No: T8051

Synonym: 双(2-甲基-3-呋喃基)二硫,Bis(2-methyl-3-furyl)disulphide

Target: Others

Creatine monohydrate

Cat.No: T22300

Synonym: Methylguanidoacetic acid monohydrate,一水肌酸

Target: Others, Endogenous Metabolite

Cat.No: T4921

Synonym: 2-氧代己二酸,2-Oxoadipic acid

Target: Endogenous Metabolite

Cat.No: T6S0655

Target: ERK

Cat.No: TN3689

Synonym: Comanthosid A

Target: Others

L-Cystathionine

Cat.No: T10939L

Synonym: L-胱硫醚,Cystathionine,ZINC1532680,L-(+)-Cystathionine,Cystathionine, L-

Target: Apoptosis, Endogenous Metabolite

2-Ketoglutaric acid

Cat.No: T5980

Synonym: α-酮戊二酸,alpha-酮戊二酸

Target: Tyrosinase, Endogenous Metabolite

3-Oxo-5β-cholanoic acid

Cat.No: T13502

Synonym: 3-氧代-5β-胆烷酸,Dehydrolithocholic acid

Target: ROR

Cat.No: T5770

Target: RANKL/RANK

L-Ornithine hydrochloride

Cat.No: T2O2701

Synonym: L(+)-Ornithine hydrochloride,(S)-2,5-Diaminopentanoic acid,L-鸟氨酸盐酸盐;L-2,5-二氨基戊酸盐酸盐;L-鸟氨酸单盐酸盐;鸟氨酸盐酸盐;L-盐酸鸟氨酸;L-鸟粪氨基酸盐酸盐

Target: Others, Endogenous Metabolite

Cat.No: T21437

Synonym: Phosphatidylserine(36:0),磷脂酰丝氨酸,Dioctadecanoylphosphatidylserine,Distearoyl phosphatidylserine

Target: Others

NADP disodium salt

Cat.No: T22446

Synonym: Disodium NADP,Triphosphopyridine nucleotide disodium salt,beta-烟酰胺腺嘌呤二核苷酸磷酸二钠盐

Target: Others

1,2-Distearoyl-sn-glycero-3-phosphorylethanolamine

Cat.No: T5249

Synonym: 1,2-DSPE,1,2-二硬酯酰-SN-甘油-3-磷酰乙醇胺,1,2-Distearoyl-sn-glycero-3-phosphoethan

Target: Others, Endogenous Metabolite

2',3'-cGAMP sodium

Cat.No: T10065L

Synonym: 2'-3'-cyclic GMP-AMP sodium

Target: STING, cGAS

Adenosine monophosphate

Cat.No: T2133

Synonym: 5'-Adenylic acid,5'-腺嘌呤核苷酸,AMP,Adenosine 5'-monophosphate

Target: Endogenous Metabolite, AMPK

Cat.No: T4928

Synonym: L-犬尿氨酸,(S)-Kynurenine

Target: AhR, Aryl Hydrocarbon Receptor, Endogenous Metabolite

2-Ketoglutaric acid Sodium

Cat.No: T4920

Synonym: Oxoglutaric acid,AKG,2-oxoglutarate monobasic,LPHA-酮戊二酸钠,α-Ketoglutaric acid sodium salt

Target: Tyrosinase, Endogenous Metabolite

Adenosine 5'-diphosphate sodium salt

Cat.No: T5079

Synonym: 腺苷-5‘-二磷酸钠盐,Adenosine-5'-diphosphate trisodium salt,ADP sodium salt

Target: Others, Endogenous Metabolite

(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl ditetradecanoate

Cat.No: T5243

Synonym: DMPE,1,2-十四酰基磷脂酰乙醇胺,1,2-Dihexadecanoyl-sn-glycero-3-phosphoethanolamine,1,2-Dimyristoyl-sn-glycero-3-PE

Target: Others, Endogenous Metabolite

Cat.No: TN6508

Synonym: (-)-Trachelogenin

Target: Virus Protease, c-Myc, HCV Protease, Wnt/beta-catenin

Beta-Sitosterol

Cat.No: T2966

Synonym: Cupreol,谷甾醇,Beta-Sitosterol,β-Sitosterol,Azuprostat,SKF 14463,beta-谷甾醇,22,23-Dihydrostigmasterol,Betaprost

Target: Apoptosis, Lipase, Endogenous Metabolite

2,6-Diaminoheptanedioic acid

Cat.No: T4889

Target: Others, Endogenous Metabolite

Cat.No: T6S1572

Target: ERK, p38 MAPK, NF-κB

Cat.No: T6S1315

Synonym: 千层纸素A,6-Methoxybaicalein,Baicalein 6-methyl ether

Target: Virus Protease, HIF/HIF Prolyl-Hydroxylase, Autophagy

Cat.No: T4838

Synonym: L-(-)-Malic acid,(S)-(-)-HYDROXYSUCCINIC ACID,(S)-2-Hydroxysuccinic acid,L-苹果酸

Target: Others, Endogenous Metabolite

Cat.No: T20447

Synonym: p-Linalool

Cat.No: T40758

Hydroxy-Epsilon-Sanshool

Cat.No: T13732

Target: Others

Cat.No: T10025

Synonym: S-1-Propenyl-L-cysteine sulfoxide

Target: Others

Cat.No: T20628

2-Keto-D-Glucose

Cat.No: T10074

Synonym: D-Glucosone

Target: Others

Cat.No: TN4473

Target: Antifection

3-Keto petromyzonol

Cat.No: T40458

Cat.No: T80953

Cat.No: TN1952

Synonym: 桑辛素 P,桑辛素P

Target: Others, ROS, HIF

Ethyl 2,4,6-trihydroxybenzoate

Cat.No: TN4016

Target: Liver X Receptor

7-Methylguanine

Cat.No: T10194

Target: Others

Cat.No: T10910

Target: Others

Cucurbitadienol

Cat.No: TN3725

Isolicoflavonol

Cat.No: TN1783

Synonym: 异甘草黄酮醇

Target: Lipid

Polymyxin E1 sulfate

Cat.No: T83902

Synonym: Colistin A sulfate

Cat.No: TN6198

Cat.No: TN1951

Synonym: 桑辛素 O,桑辛素O

Target: HIF

Polymyxin E2 sulfate

Cat.No: T83904

Synonym: Colistin B sulfate

Brassicanate A sulfoxide

Cat.No: T82822

SARS-CoV MPro-IN-2

Cat.No: T72581

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