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193

抑制剂 & 化合物

50

天然产物

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Cat. No.	Product Name	Target	Signaling Pathways
T8800	NSAH 2-hydroxy-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide	DNA/RNA Synthesis	Cell Cycle/Checkpoint; DNA Damage/DNA Repair
	NSAH (2-hydroxy-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide) 是一种可逆竞争性非核苷类的核苷酸还原酶抑制剂，无细胞 IC50 为 32 μM，基于细胞的 IC50 约为 250 nM。
T8334	CADD522 MFCD00167693,3-{[(3,4-二氯苯基)氨基]羰基}二环[2.2.1]庚-5-烯-2-羧酸	Others	Others
	CADD522 (MFCD00167693) 是 runt 相关转录因子-2 (RUNX2)-DNA 结合的抑制剂(IC50:10 nM)，具有抗肿瘤作用。
T2226	Pergolide mesylate 甲磺酸培高利特,Pergolide mesylate salt,LY127809,Pergolide methanesulfonate	Dopamine Receptor; 5-HT Receptor; Adrenergic Receptor	GPCR/G Protein; Neuroscience
	Pergolide mesylate salt(LY127809) 是一种有效的，具有口服活性的多巴胺 D1和 D2受体激动剂，是一种 Ergoline 衍生物，可用于帕金森氏病和高泌乳素血症的研究。
T72662	NMDAR/TRPM4-IN-2	ERK; TRP/TRPV Channel; NMDAR; iGluR	MAPK; Membrane transporter/Ion channel; Neuroscience
	NMDAR/TRPM4-IN-2 是一种有效的 NMDAR/TRPM4 相互作用界面抑制剂。NMDAR/TRPM4-IN-2 保护小鼠免受 MCAO 诱导的脑损伤和 NMDA 诱导的视网膜神经节细胞丢失。NMDAR/TRPM4-IN-2 具有神经保护活性，可预防 NMDA 诱导的海马神经元细胞死亡和线粒体功能障碍，其 IC50 值为 2.1 μM。
T12234	NMDA-IN-1	NMDAR	Neuroscience
	NMDA-IN-1是一种 NR2B 选择性 NMDA 拮抗剂，对NMDA 的Ki 值为 0.85 nM，对NR2B Ca2+ influx 的IC50值为 9.7 nM。
T12733	Rislenemdaz CERC-301,MK-0657	iGluR	Membrane transporter/Ion channel; Neuroscience
	Rislenemdaz (CERC-301) (CERC-301)是 N-methyl-D-aspartate (NMDA) receptor subunit 2B (GluN2B) 的拮抗剂。
T5522	NMDAR antagonist 1	Others; iGluR	Membrane transporter/Ion channel; Neuroscience; Others
	NMDAR antagonist 1 是一种 NR2B 选择性的、口服具有活力的 NMDAR 拮抗剂。
T16286	Nelonemdaz Neu2000	Topoisomerase	DNA Damage/DNA Repair
	Neu2000 is an uncompetitive antagonist of N-methyl-D-aspartate (NMDA) receptor.
T79273	NMDA receptor antagonist 6	iGluR	Membrane transporter/Ion channel; Neuroscience
	NMDA receptor antagonist6 (compound 13b) 为针对甘氨酸结合位点的NMDA 受体拮抗剂，其展现出对PC12 细胞的神经保护功能，能够抵御NMDA引起的细胞损伤及细胞凋亡。
T23165	PMPA (NMDA antagonist)	Others	Others
	PMPA (NMDA antagonist) is a Competitive NMDA receptor antagonist.
T40999	NMDA receptor antagonist 2
	NMDA receptor antagonist 2 is a highly potent and orally active NR2B subtype-selective antagonist of the N-methyl-D-aspartate (NMDA) receptor. It exhibits remarkable binding affinities, with an IC50 of 1.0 nM and a Ki value of 0.88 nM. This compound finds valuable application in scientific investigations focusing on neuropathic pain and Parkinson’s disease.
T60306	NMDA receptor antagonist 4
	NMDA receptor antagonist 4 (IIc) 是一个非竞争性、电压依赖的、口服活性的 NMDAR 阻断剂，IC50值为1.93 μM。NMDA receptor antagonist 4 可透过血脑屏障，可用于研究阿兹海默症。
T60685	NMDA receptor modulator 3
	NMDA receptor modulator 3 (Compound 99) 是一种用于神经障碍研究的，NMDA 受体的调节剂。
T61924	NMDA receptor modulator 6
	NMDA receptor modulator 6 (Compound 183) 是有效的 NMDA receptor 调节剂，在神经障碍中具有研究价值
T69725	Amdakefalin
	Amdakefalin is a μ and δ opioid receptors agonist that acts as an analgesic.
T41058	Nelonemdaz potassium Neu2000potassium,Salfaprodil
	Nelonemdaz potassium (also known as Salfaprodil) is a potent NR2B-selective and uncompetitive antagonist of N-methyl-D-aspartate (NMDA). This compound exhibits remarkable neuroprotection against cell death induced by both NMDA and free radicals, in addition to its role as a free radical scavenger.
T61470	NMDA receptor antagonist 5
	NMDA receptor antagonist 5 (Compound 10e), a potent and non-toxic NMDA receptor antagonist, exhibits brain permeability. It is of significance in studying neurological disorders [1].
T61451	NMDAR/HDAC-IN-1
	NMDAR/HDAC-IN-1 (Compound 9d) is a potent dual inhibitor of N-methyl-D-aspartate receptors (NMDARs) and histone deacetylases (HDACs). It exhibits a high affinity (Ki = 0.59 μM) for NMDARs, while demonstrating significant inhibitory effects on various HDAC isoforms, including HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8 with IC 50 values of 2.67 μM, 8.00 μM, 2.21 μM, 0.18 μM, and 0.62 μM, respectively. Moreover, NMDAR/HDAC-IN-1 efficiently crosses the blood-brain barrier [1].
T74854	GluN2B-NMDAR antagonist-1
	GluN2B-NMDAR antagonist-1 是一种具有口服活性的GluN2B-NMDAR 拮抗剂。GluN2B-NMDAR antagonist-1 具有神经保护活性。 GluN2B-NMDAR antagonist-1 可用于缺血性损伤研究。
T79374	NMDA receptor antagonist 7	iGluR	Membrane transporter/Ion channel; Neuroscience
	NMDA receptor antagonist7 (Compound (S)-10a) 为针对 GluN2B 亚基具有选择性的 NMDA 受体拮抗剂，展现出 Ki 值为 93 nM 和 IC50 值为 72 nM。该化合物适用于神经退行性疾病的研究。
T68357	Nelonemdaz Na
	Nelonemdaz Na is a NMDA receptor antagonist potentially for the treatment of stroke.
T60552	NMDA receptor modulator 2
	NMDA receptor modulator 2 (Compound 1) 是一种有效的NMDA 受体调节剂，可用于研究神经障碍。
T63003	NMDA receptor potentiator-1
	NMDA receptor potentiator-1 (Compound 1368) 是一种亚基选择性的 NMDA receptor 增强剂。NMDA receptor potentiator-1 对 NR2C 和 NR2D 表达的 IC50 值分别为 4 μM 和 5 μM。
T60792	NMDA receptor antagonist-3
	NMDA receptor antagonist-3 是NMDA 受体的拮抗剂。NMDA receptor antagonist-3 在 SH-SY5Y 和人脂肪间充质干细胞中具有显著的回收率（40.0 %，100 μM）和安全的毒理学特性。
T79375	NMDA receptor antagonist 8	iGluR	Membrane transporter/Ion channel; Neuroscience
	NMDA receptor antagonist8 (Compound (R)-10a)为针对GluN2B亚基具有选择性的NMDA受体拮抗剂，拥有Ki值为265 nM及IC50值为62 nM，适用于神经退行性疾病的研究。
T60960	NMDA receptor modulator 4
	NMDA receptor modulator 4 (Compound 169) 可用于神经系统疾病的研究，它是 NMDA 受体的有效调节剂。
T61117	NMDA receptor modulator 5
	NMDA receptor modulator 5 (Compound 195), a potent NMDA receptor modulator, exhibits potential for neurological disorder research [1].
T23014	MNI-caged-NMDA	Others	Others
	NMDA caged with the photosensitive 4-methoxy-7-nitroindolinyl group
T62126	(Rac)-NMDAR antagonist 1
	(Rac)-NMDAR antagonist 1 是一种 NMDAR antagonist 1 的消旋体。其中 NMDAR antagonist 1 是一种有效的、口服具有活力的、NR2B 选择性的 NMDAR 拮抗剂。
T60513	NMDA-IN-2
	NMDA-IN-2 (化合物 6b) 是普鲁卡因的衍生物。NMDA-IN-2是 NMDA 受体2B 亚型的抑制剂。
T13009	STAT3-IN-1	Apoptosis; STAT	Apoptosis; JAK/STAT signaling; Stem Cells
	STAT3-IN-1 是一种选择性的、口服有效的 STAT3的强效抑制剂，可诱导肿瘤细胞凋亡，其在 HT29 和MDA-MB 231 细胞中的IC50值分别为1.82 μM 和2.14 μM。
T1859	AZD-8055	Apoptosis; mTOR; Autophagy	Apoptosis; Autophagy; PI3K/Akt/mTOR signaling
	AZD-8055 是一种选择性、具有口服活性和 ATP 竞争性的 mTOR 抑制剂，IC50为 0.8 nM。AZD-8055 抑制 mTORC1和 mTORC2。
T70353	JG-231	HSP	Cytoskeletal Signaling; Metabolism
	JG-231 是 JG-98 类似物，具有抗癌活性。JG-231 对三阴性乳腺癌 (TNBC) 的 MDA-MB-231 异植肿瘤模型具有抑制作用。JG-231 可抑制 Hsp70-BAG3 的相互作用。JG-231 对三阴性乳腺癌 (TNBC) 的 MDA-MB-231 异植肿瘤模型具有抑制作用。
T28865	STAT3-IN-B9 STAT3 IN B9,B9	STAT	JAK/STAT signaling; Stem Cells
	STAT3-IN-B9 (B9) 是异常 STAT3 激活的抑制剂，可抑制 MDA-MB-468、MDA-MB-231 和 DU145 等肿瘤细胞的增殖。
T7311	Oxyphenisatin acetate	Autophagy	Autophagy
	Oxyphenisatin acetate 是oxyphenisatin 的前体药物，可抑制乳腺癌细胞系 MCF7、T47D、HS578T 和 MDA-MB-468 的生长。
T14685	BMS-986158	Epigenetic Reader Domain	Chromatin/Epigenetic
	BMS-986158 是一种BET 抑制剂，在 MDA-MB231 三阴性乳腺癌细胞和 NCI-H211 小细胞肺癌细胞中，对 BET 的IC50分别为 5 和 6.6 nM。
T36488	LYG-202 LYG202,LYG 202	Apoptosis; ROS	Apoptosis; Immunology/Inflammation
	LYG-202是一种具有哌嗪替代的新型类黄酮，在体内和体外都具有抗肿瘤作用。LYG-202 诱导 MCF-7、MDA-MB-231 和 MDA-MB-435 细胞凋亡，增加了细胞内 ROS 的产生。
T72924	VEGFR-3-IN-1	VEGFR	Angiogenesis; Tyrosine Kinase/Adaptors
	VEGFR-3-IN-1 是一种新型有效且具有选择性的 VEGFR3 抑制剂，其 IC50 为 110.4 nM。VEGFR-3-IN-1 具有抗肿瘤活性，可使 VEGFR3 信号通路失活，可抑制 VEGF-C 诱导人真皮淋巴管内皮细胞 (HDLEC)、MDA-MB-231 和 MDA-MB-436 细胞的增殖和迁移，并且能有效抑制乳腺癌的生长。
T5350	JG-98 JG98,JG 98	Apoptosis; HSP	Apoptosis; Cytoskeletal Signaling; Metabolism
	JG-98 是一种热休克蛋白 70 (Hsp70)变构抑制剂，可与 Hsp70 上的保守位点紧密结合，打断 Hsp70-Bag3 相互作用。它影响癌细胞和肿瘤相关巨噬细胞，具有抗癌活性。
T2427	EHop-016 EHop 016	Rho; Ras	Cell Cycle/Checkpoint; GPCR/G Protein; MAPK
	EHop-016 是一种特异性 Rac GTPase 抑制剂，对 MDA-MB-231 和 MDA-MB-435 细胞中的 Rac1 的 IC50 为 1.1 μM，也可抑制Rac3 。它还抑制 Vav2 与 Rac，Rac 激活的 PAK1 相互作用，片状脂蛋白形成和细胞迁移。
T60269	ZINC194100678	PAK	Cytoskeletal Signaling
	ZINC194100678是一种有效的PAK1抑制剂，IC50值为8.37μM 。ZINC194100678 具有较强的抗增殖活性，对MDA-MB-231的IC50值为40.16μM。ZINC194100678可用于癌症的研究。
T22538	A-7 hydrochloride	CaMK	Neuroscience
	A-7 hydrochloride 是一种钙调蛋白拮抗剂，会引起 MDA-MB-231细胞中 CD44+CD24-亚群的改变。
T77650	Topoisomerase II inhibitor 14	Apoptosis; Antioxidant; Topoisomerase; NO Synthase	Apoptosis; DNA Damage/DNA Repair; Immunology/Inflammation; oxidation-reduction
	Topoisomerase II inhibitor 14 是一种有效的拓扑异构酶 II 抑制剂，具有抗癌活性和抗氧化活性。Topoisomerase II inhibitor 14 诱导细胞凋亡，并将细胞周期阻滞在 S 期。Topoisomerase II inhibitor 14 可降低 GSH、MDA 和 NO 的量。
T12344L1	OTS186935 FA OTS186935 FA（2093400-18-9 Free base）	Histone Methyltransferase	Chromatin/Epigenetic
	OTS186935 FA 是一种蛋白甲基转移酶 SUV39H2 抑制剂。OTS186935 FA在 MDA-MB-231 乳腺癌细胞和 A549 肺癌细胞中抑制肿瘤的生长。
T2060	ELR510444 LR-510444,LR510444,LR 510444	Apoptosis; Microtubule Associated	Apoptosis; Cytoskeletal Signaling
	ELR510444 (LR510444) 是一种新型微管破坏剂，抑制 MDA-MB-231 细胞增殖，IC50 为 30.9 nM。
T16021	MBQ-167	CDK; Ras	Cell Cycle/Checkpoint; GPCR/G Protein; MAPK
	MBQ-167 是一种 Rac/Cdc42 的双重抑制剂，在 MDA-MB-231 细胞中，Rac 1/2/3 和 Cdc42 的 IC50 分别为 103 nM 和 78 nM。
T77728	Tubulin polymerization-IN-55	Microtubule Associated	Cytoskeletal Signaling
	Tubulin polymerization-IN-55 是一种高效的 Tubulin Polymerization 抑制剂，具有潜在的抗血管生成和抗肿瘤活性，对 A549、K562、HepG2、MDA-MB-231 和 HFL-1 显示出抗增殖作用。
T63140	LSD1-IN-20	Histone Demethylase	Chromatin/Epigenetic
	LSD1-IN-20 是一种有效的 LSD1/G9a 双重抑制剂，其 Ki 值分别为 0.44 和 0.68 μM。LSD1-IN-20 在体外实验中对 THP-1 白血病细胞和 MDA-MB-231 乳腺癌细胞显示出抗增殖活性，72 h 时 IC50 分别为 0.51 和 1.60 μM。
T41256	SP-96	Aurora Kinase	Cell Cycle/Checkpoint; Chromatin/Epigenetic
	SP-96 是一种高效的特异性 Aurora B 抑制剂，IC50 为 0.316 nM。 SP-96 在 NCI60 筛选中显示特异性生长抑制，如 MDA-MD-468 (GI50=107 nM)。 SP-96 可用于三阴性乳腺癌研究。
T2080	LCL161	IAP	Apoptosis
	LCL161 是一种 SMAC 模拟物，可有效结合并抑制多种 IAP。它抑制 HEK293 细胞中 XIAP 和 MDA-MB-231细胞中 cIAP1的 IC50分别为 35 和 0.4 nM。

化合物

Cat.No: T8800

Synonym: 2-hydroxy-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide

Target: DNA/RNA Synthesis

Cat.No: T8334

Synonym: MFCD00167693,3-{[(3,4-二氯苯基)氨基]羰基}二环[2.2.1]庚-5-烯-2-羧酸

Target: Others

Pergolide mesylate

Cat.No: T2226

Synonym: 甲磺酸培高利特,Pergolide mesylate salt,LY127809,Pergolide methanesulfonate

Target: Dopamine Receptor, 5-HT Receptor, Adrenergic Receptor

NMDAR/TRPM4-IN-2

Cat.No: T72662

Target: ERK, TRP/TRPV Channel, NMDAR, iGluR

Cat.No: T12234

Target: NMDAR

Cat.No: T12733

Synonym: CERC-301,MK-0657

Target: iGluR

NMDAR antagonist 1

Cat.No: T5522

Target: Others, iGluR

Cat.No: T16286

Synonym: Neu2000

Target: Topoisomerase

NMDA receptor antagonist 6

Cat.No: T79273

Target: iGluR

PMPA (NMDA antagonist)

Cat.No: T23165

Target: Others

NMDA receptor antagonist 2

Cat.No: T40999

NMDA receptor antagonist 4

Cat.No: T60306

NMDA receptor modulator 3

Cat.No: T60685

NMDA receptor modulator 6

Cat.No: T61924

Cat.No: T69725

Nelonemdaz potassium

Cat.No: T41058

Synonym: Neu2000potassium,Salfaprodil

NMDA receptor antagonist 5

Cat.No: T61470

NMDAR/HDAC-IN-1

Cat.No: T61451

GluN2B-NMDAR antagonist-1

Cat.No: T74854

NMDA receptor antagonist 7

Cat.No: T79374

Target: iGluR

Cat.No: T68357

NMDA receptor modulator 2

Cat.No: T60552

NMDA receptor potentiator-1

Cat.No: T63003

NMDA receptor antagonist-3

Cat.No: T60792

NMDA receptor antagonist 8

Cat.No: T79375

Target: iGluR

NMDA receptor modulator 4

Cat.No: T60960

NMDA receptor modulator 5

Cat.No: T61117

Cat.No: T23014

Target: Others

(Rac)-NMDAR antagonist 1

Cat.No: T62126

Cat.No: T60513

Cat.No: T13009

Target: Apoptosis, STAT

Cat.No: T1859

Target: Apoptosis, mTOR, Autophagy

Cat.No: T70353

Target: HSP

Cat.No: T28865

Synonym: STAT3 IN B9,B9

Target: STAT

Oxyphenisatin acetate

Cat.No: T7311

Target: Autophagy

Cat.No: T14685

Target: Epigenetic Reader Domain

Cat.No: T36488

Synonym: LYG202,LYG 202

Target: Apoptosis, ROS

Cat.No: T72924

Target: VEGFR

Cat.No: T5350

Synonym: JG98,JG 98

Target: Apoptosis, HSP

Cat.No: T2427

Synonym: EHop 016

Target: Rho, Ras

Cat.No: T60269

Target: PAK

A-7 hydrochloride

Cat.No: T22538

Target: CaMK

Topoisomerase II inhibitor 14

Cat.No: T77650

Target: Apoptosis, Antioxidant, Topoisomerase, NO Synthase

Cat.No: T12344L1

Synonym: OTS186935 FA（2093400-18-9 Free base）

Target: Histone Methyltransferase

Cat.No: T2060

Synonym: LR-510444,LR510444,LR 510444

Target: Apoptosis, Microtubule Associated

Cat.No: T16021

Target: CDK, Ras

Tubulin polymerization-IN-55

Cat.No: T77728

Target: Microtubule Associated

Cat.No: T63140

Target: Histone Demethylase

Cat.No: T41256

Target: Aurora Kinase

Cat.No: T2080

Target: IAP

Cat. No.	Product Name	Target	Signaling Pathways
T5669	Citric acid monohydrate	Others	Others
	Citric acid monohydrate 是一种存在于柑橘类水果中的三羧酸。柠檬酸因其抗氧化特性而被用作药物制剂中的赋形剂。它保持活性成分的稳定性并用作防腐剂。
T5S0636	Citric acid 柠檬酸,Citro,Citretten	Apoptosis; Others; Endogenous Metabolite; Antibacterial; Antibiotic	Apoptosis; Metabolism; Microbiology/Virology; Others
	Citric acid (Citro) 是柑橘类水果中发现的弱有机三羧酸。柠檬酸是食品添加剂和天然防腐剂。
T6608	NMDA N-甲基-D-天冬氨酸,N-Methyl-D-aspartic acid	Endogenous Metabolite; NMDAR; iGluR	Membrane transporter/Ion channel; Metabolism; Neuroscience
	NMDA (N-Methyl-D-aspartic acid) 是一种氨基酸，作为 D-异构体，是谷氨酸受体的 NMDA 受体亚型的定义激动剂。
T5S1000	Sophoraflavanone G Kushenol F,槐黄烷酮 G,Vexibinol	Apoptosis	Apoptosis
	Sophoraflavanone G (Kushenol F) 是从苦参中提取到的一种天然产物，通过抑制 MAPK 相关通路诱导 MDA-MB-231 和 HL-60 细胞凋亡，具有抗肿瘤和抗炎特性。
T3844	Deltonin 三角叶薯蓣皂苷	ERK; Others; Akt; Endogenous Metabolite	Cytoskeletal Signaling; MAPK; Metabolism; Others; PI3K/Akt/mTOR signaling
	Deltonin 是从盾叶薯蓣中得到的一种甾体皂苷，抑制ERK1/2和AKT 的活化，具有抗肿瘤活性。
T21771	Pyoluteorin	Antibiotic	Microbiology/Virology
	Pyoluteorin 是一种抗生素 (antibiotic)，可抑制 Oomycete fungi，包括植物病原体 Oomycete fungi，并抑制由该真菌引起的植物病害。 Pyoluteorin 在体外诱导人三阴性乳腺癌 MDA-MB-231 细胞凋亡 (apoptosis)。 Pyoluteorin 可用于人类三阴性乳腺癌的研究。
T10390	Asperphenamate	Others; Antifungal	Microbiology/Virology; Others
	Asperphenamate 是 Aspergillus flatiipes 的真菌代谢产物。 T47D 细胞、MDA-MB-231 细胞和 HL-60 细胞的 IC50 分别为 92.3 μM、96.5 μM 和 97.9 μM。 Asperphenamate 具有抗癌作用。
TQ0298	Fagomine D-Fagomine	ROS; glycosidase	Immunology/Inflammation; Metabolism
	Fagomine (D-Fagomine) 是一种温和的糖苷酶 (glycosidase) 抑制剂，是1-脱氧野尻霉素（DNJ）的类似物，具有降血糖活性，Fagomine 降低了细胞内活性氧（ROS）的产生和丙二醛（MDA）水平。
TN2083	Pinostrobin chalcone 球松素查尔酮,2',3'-二羟基-4'-甲氧基查耳酮
	Pinostrobin chalcone 是一种从豆科植物木豆中分离出的查尔酮类化合物，具有抗癌活性，对 MDA-MB-231 的 IC50 值为 20.42±2.23μg/mL，对 HT-29 结肠癌细胞株的IC50 值为 22.51±0.42 μg/mL。
T2896	Alantolactone 土木香内酯,helenin,Eupatal,Helenine,(+)-Alantolactone,Alant camphor,土木香脑,Inula camphor	Apoptosis; STAT; TGF-beta/Smad	Apoptosis; JAK/STAT signaling; Stem Cells
	Alantolactone (Inula camphor) 是一种STAT3的选择性抑制剂，可诱导癌症相关的凋亡，具有抗肿瘤活性。
T4519	Alisol A Alisol-A,泽泻醇 A	Autophagy	Autophagy
	Alisol A (Alisol-A) 是泽泻中的一种三萜类天然产物，可能是一种自噬诱导剂，具有抗癌活性。
T5S1607	Morusin Mulberrochromene,桑辛素	NF-κB; Antibacterial; STAT	JAK/STAT signaling; Microbiology/Virology; NF-κB; Stem Cells
	Morusin (Mulberrochromene) 是从M. australis 分离的去乙烯基化黄酮，可抑制NF-κB 和STAT3的活性，具有抗菌、抗肿瘤、抗氧化等各种生物活性。
T8190	5-Hydroxyflavone	Others	Others
	5-Hydroxyflavone 是类黄酮配体，对 FaDU，MCF-7，U87，MDA-MB-435S，RPE-1 和 HEK293 细胞没有细胞毒性。
T7032	Eupatorin	Others; P450	Metabolism; Others
	Eupatorin 是天然存在的黄酮，可捕获 G2-M 细胞周期，激活多个 caspase、细胞色素 C 的释放、多聚 (ADP-核糖) 聚合酶的裂解，促使凋亡细胞死亡。
T5S1331	Herbacetin	c-Met/HGFR; Akt	Cytoskeletal Signaling; PI3K/Akt/mTOR signaling; Tyrosine Kinase/Adaptors
	Herbacetin 是一种亚麻籽中的天然类黄酮，具有多种药理活性，如抗氧化、抗炎、抗癌作用。它是鸟氨酸脱羧酶Ornithine decarboxylase (ODC)变构抑制剂，能够直接与 ODC 上的 Asp44，Asp243 和 Glu384 结合。其中鸟氨酸脱羧酶是多胺生物合成中的限速酶。
T4964	steviolbioside CCRIS-6025,菊双糖甙,甜菊双糖苷	Others	Others
	Steviolbioside (CCRIS-6025) 是一种存在于甜菊叶中的罕见甜味剂。它对几种人类癌细胞有抑制作用，对乳腺癌具有潜在的研究价值。
T5543	TriacetonaMine 四甲基哌啶酮,Odoratine,tempidon,tmpone,Vincubine,2,2,6,6-Tetramethyl-4-piperidinone	Others	Others
	TriacetonaMine (Vincubine) 是一种合成医药产品、农药和聚合物光稳定剂的中间体。它是热解油的主要组分。它是植物和真菌提取物的人工制品，使用丙酮和氢氧化铵，或在分离过程的不同步骤中天然出现铵盐。
T2973	Astragaloside IV AST-IV,黄芪甲苷IV,AS-IV,黄芪皂苷 IV	MMP; ERK; Estrogen/progestogen Receptor; JNK	Endocrinology/Hormones; MAPK; Proteases/Proteasome
	Astragaloside IV (AS-IV) 是从黄芪中分离得到的一种皂苷，抑制ERK1/2和JNK 激活，在乳腺癌细胞 MDA-MB-231 中，下调(MMP)-2和(MMP)-9的信号通路。
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。
T5S0055	Chelidonine Helidonine,Khelidonin,白屈菜碱,Stylophorin	Apoptosis; Others; Influenza Virus	Apoptosis; Microbiology/Virology; Others
	Chelidonine (Stylophorin) 是白屈菜中的一种异喹啉生物碱，有抗肿瘤和抗病毒作用。它可导致细胞周期 G2/M 停滞，诱导 caspase 依赖和非依赖性的细胞凋亡。
T3908	10-Gingerol 10-姜酚	Apoptosis	Apoptosis
	10-Gingerol 是一种姜根脂的主要刺激性成分，具有抗炎、抗氧化和抗增殖作用，能够抑制 MDA-MB-231 肿瘤细胞的增殖(IC50:12.1 μM)。
T3929	Kaurenoic acid Kauren-19-Oic Acid,异贝壳杉烯酸,kaurenoate,kaur-16-en-18-oic acid	Others	Others
	Kaurenoic acid (kaurenoate) 是一种二萜，来源于 Sphagneticola trilobata 中，可以抑制细胞因子的产生和激活 NO–cyclic GMP–PKG–ATP- 敏感型钾通道信号通路，并抑制炎症疼痛。
T5S0053	Coptisine 黄连碱,Coptisin	Indoleamine 2,3-Dioxygenase (IDO)	Metabolism
	Coptisine (Coptisin) 是一种从黄连中分离到的生物碱，是非竞争性的IDO 抑制剂，Ki=为 5.8 μM，IC50=6.3 μM。
T4S1551	Cinnamaldehyde Cinnamic Aldehyde,肉桂醛	HIF	Angiogenesis; Chromatin/Epigenetic
	Cinnamaldehyde (Cinnamic Aldehyde) 具有解热作用。它是镇静剂。它抑制MDA-MB-435S 细胞的侵袭能力与下调miR-27a 的表达有关。它诱导活性氧的产生，发挥血管扩张和抗癌作用。它似乎是一种有希望的候选药物，可作为与 5-氟尿嘧啶 (5-FU) 和奥沙利铂 (OXA) 这两种用于 CRC 治疗的化疗药物联合治疗的辅助剂。其作用的可能机制可能涉及药物代谢基因的调节。它在抑制黑色素瘤的发生和发展方面具有一定的作用，其作用机制可能表现为抑制VEGF 和HIF-α的表达，从而使血管模拟和黑色素瘤细胞新生血管的形成，促进肿瘤的生长。
T3729	Ethyl gallate Nipagallin A,Phyllemblin,gallic acid ethyl ester,没食子酸乙酯	MMP; NF-κB; Akt; Antibacterial	Cytoskeletal Signaling; Microbiology/Virology; NF-κB; PI3K/Akt/mTOR signaling; Proteases/Proteasome
	Ethyl gallate (gallic acid ethyl ester) 是一种非类黄酮酚过氧化氢清除剂。
T2S1865	Octyl gallate Gallic acid octyl ester,n-Octylgallate,Octyl 3,4,5-trihydroxybenzoate,Progallin O,Stabilizer GA-8,没食子酸辛酯	Antioxidant; Influenza Virus; Reactive Oxygen Species; Antibacterial; Antifungal; HSV	Immunology/Inflammation; Metabolism; Microbiology/Virology; NF-κB; oxidation-reduction
	Octyl gallate (Octyl 3,4,5-trihydroxybenzoate) 具有抗菌、抗氧化作用，有选择性和敏感性的荧光特性，广泛用作食品添加剂。它对 HSV-1，水泡性口炎病毒和脊髓灰质炎病毒有显著的抗病毒作用。
T17155	Trabectedin Ecteinascidin 743,曲贝替定,ET-743	Apoptosis; Reactive Oxygen Species	Apoptosis; Immunology/Inflammation; Metabolism; NF-κB
	Trabectedin (Ecteinascidin 743) 是一种四氢异喹啉生物碱，有抗肿瘤的活性，通过与 DNA 的小沟结合，阻断应激诱导的蛋白质的转录，诱导 DNA 骨架裂解和癌细胞凋亡，并增加 MCF-7 和 MDA-MB-453 细胞中 ROS 的生成。Trabectedin 在软组织肉瘤和卵巢癌中具有的研究价值。
T5S0106	Peimisine 贝母辛,Ebeiensine	RAAS; AChR	Endocrinology/Hormones; Neuroscience
	Peimisine (Ebeiensine) 非竞争性拮抗气管平滑肌 M 受体，抑制 Ach 引起的平滑肌收缩。它兴奋 β 受体和拮抗内钙释放，促进一氧化氮释放，可舒张气管平滑肌，有平喘作用。
TN2233	Spathulenol	Antioxidant; Antifungal	Microbiology/Virology; oxidation-reduction
	Spathulenol 是一种来自 Aristolochia yunnanensis 的天然成分，具有抗炎、抗氧化、抗增殖、抗溃疡和抗分枝杆菌活性。 Spathulenol 在 DPPH 系统中显示出显著的抗氧化活性，IC50 为 85.60 μg/mL。
TN1493	Chrysosplenol D 猫眼草酚D	IL Receptor; NF-κB; JNK	Immunology/Inflammation; MAPK; NF-κB
	Chrysosplenol D 属于甲氧基黄酮类化合物，可诱导 ERK1/2 介导的三阴性人乳腺癌细胞凋亡。它还显示出抗炎和中等抗锥虫活性。
TN1376	α-Solanine alpha-Solanine,A-茄碱	MMP; Akt; PI3K	Cytoskeletal Signaling; PI3K/Akt/mTOR signaling; Proteases/Proteasome
	Alpha-Solanine alters antioxidative enzyme activities and MDA and PCO concentrations and GST activity in fat body and midgut.
T83104	Anthragallol 1,2-dimethyl ether
	Anthragallol 1,2-dimethyl ether 可从O. umbellata提取。该化合物对A549细胞和MDA-MB-231细胞展现细胞毒性，IC50值分别为5.9 μg/ml和8.8 μg/ml。
TN4330	Isoshinanolone	Others	Others
	Isoshinanolone shows excellent toxicity with LC(50) values of 1.26 microg/mL. trans-Isoshinanolone shows cytotoxicity against MDA-MB-231 breast cancer cells.
TN1392	Anhydrosecoisolariciresinol	Others	Others
	Anhydrosecoisolariciresinol can significantly decrease the growth of human breast cancer MCF-7 and MDA-MB-231 cell lines at 50 and 100 microM.
TN3009	4',5,7-Trihydroxy-6-prenylflavone	Others	Others
	6-Prenylapigenin(4',5,7-Trihydroxy-6-prenylflavone) shows potent inhibitory activity on melanin formation, it may be potential sources for skin whitening agents. It also shows moderate cytotoxicities against breast cancer (MDA-MB-435S) and lung adenocarci
T82344	Gambogic acid B
	Gambogic acid B，一种从Garcinia hanburyi树脂中分离得到的活性化合物，对A549、HCT116 和 MDA-MB-231 细胞显示细胞毒性，其IC50值分别为1.60 μM、6.88 μM 和 0.87 μM。
TN2492	1,4,5,6-Tetrahydroxy-7,8-diprenylxanthone	Others	Others
	1,4,5,6-Tetrahydroxy-7,8-diprenylxanthone has moderate cytotoxicities against breast cancer (MDA-MB-435S) and lung adenocarcinoma (A549) cell lines, but lacks antifungal activity against Candida albicans.
T83725	Nigerose Sakebiose
	Nigerose，一种在Acremonium中发现的二糖，当与苷类化合物salidroside联合使用，浓度为150 µM时，可阻止HL-60细胞冷冻保存后的丙二醛（MDA）和活性氧物质（ROS）水平上升，并抑制乳酸脱氢酶（LDH）的释放。
T2902	Costunolide Costus lactone,NSC 106404,Costunolid,(+)-Costunolide,木香烃内酯	Apoptosis; Endogenous Metabolite; Telomerase	Apoptosis; DNA Damage/DNA Repair; Metabolism
	Costunolide (Costus lactone) 是一种天然的倍半萜内酯，具有抗氧化、抗炎、抗过敏、骨重塑、神经保护、促进毛发生长、抗癌和抗糖尿病的特性，可诱导乳腺癌细胞周期阻滞和凋亡。
TN2752	2-Deacetoxytaxinine J	Others	Others
	2-Deacetoxytaxinine J shows significant in vitro activity against breast cancer cell line at a concentration of 20 microM and 10 microM in MCF-7 and MDA-MB-231 respectively.
TN1741	Homomangiferin 高芒果苷	Others	Others
	Homomangiferin has important medicinal properties and is widely used to relieve many symptoms, for example coughing and asthma.Homomangiferin shows antitumoural effects against MDA-MB-231 cells.
TN1728	Hellebrigenin	PARP; Akt; CDK	Cell Cycle/Checkpoint; Chromatin/Epigenetic; Cytoskeletal Signaling; DNA Damage/DNA Repair; PI3K/Akt/mTOR signaling
	Hellebrigenin has anti-hepatoma activities, it induces cell cycle arrest and apoptosis in human hepatocellular carcinoma HepG2 cells through inhibition of Akt. Hellebrigenin exhibites moderate to strong activity against human HL-60, SF-295, MDA-MB-435, and HCT-8 cancer cell strains without hemolysis of mouse erythrocytes.
TN2493	1,4,5,6-Tetrahydroxy-7-prenylxanthone	Others	Others
	1,4,5,6-Tetrahydroxy-7-prenylxanthone has anti-cancer activity, it shows moderate cytotoxicities against breast cancer (MDA-MB-435S) and lung adenocarcinoma (A549) cell lines; it also exhibits moderate activities with GI50 (Growth inhibitory) values of 2.
TN5280	(-)-Zeylenol Zeylenol	Apoptosis	Apoptosis
	(-)-Zeylenol (Zeylenol) 是一种从 Uvaria grandiflora 的茎中提取的天然产物，具有抗炎、拒食和抗肿瘤生物活性，通过抑制多种炎症介质的合成或释放发挥作用。 zezelenol 对油菜根系生长有抑制作用，具有诱导人乳腺癌 MDA-MB231细胞凋亡的潜力。
TMA1944	Protopine hydrochloride	EGFR; cAMP	Angiogenesis; GPCR/G Protein; JAK/STAT signaling; Tyrosine Kinase/Adaptors
	Protopine has antiplatelet effects,which is due to inhibition on thromboxane formation and phosphoinositides breakdown and then lead to the decrease of intracellular calcium concentration.Protopine seems to inhibit the heterotypic cell adhesion between MD
TN3401	Altenuene	Antifection	Microbiology/Virology
	Altenuene 是一种霉菌毒素，经常出现在被链格孢属真菌侵染的食物和饲料中。 Altenuene 表现出对金黄色葡萄球菌的中等活性。 Altenuene 还表现出对肺癌细胞系 A549、乳腺癌细胞系 MDA-MB-231 和胰腺癌细胞系 PANC-1 的细胞毒活性。
TN4261	Isoaltenuene	Antifection	Microbiology/Virology
	Isoaltenuene shows antibiotic activity against Gram-positive bacteria; it also shows a minor phytotoxic activity on tomato leaves at level of 20 ug/spot . Isoaltenuene exhibits cytotoxic activity against lung cancer cell line A549, breast cancer cell line
T35758	Butyrolactone V
	Butyrolactone V is a fungal metabolite that has been found in A. terreus and has antiprotozoal, antioxidant, and anticancer activities.1,2,3 It is active against the P. falciparum strain K1 (IC50 = 7.9 μg/ml) and L. amazonensis promastigotes (IC50 = 23.7 μM).2,1 Butyrolactone V (227 and 454.1 μM) is also active against adult S. mansoni worms.1 It scavenges 2,2-diphenyl-1-picrylhydrazyl and ABTS radicals with IC50 values of 20.7 and 3.7 μM, respectively, in cell-free assays.3 Butyrolactone V also...
T36448	(E)-Ajoene
	(E)-Ajoene is a disulfide that has been found inA. sativumand has diverse biological activities.1,2,3,4It is active against Gram-positive and Gram-negative bacteria (MICs = 10-250 and 150->500 μg/ml, respectively) and fungi (MICs = 15-50 μg/ml).1(E)-Ajoene inhibits proliferation of a variety of cancer cells, including MDA-MB-231 breast, HeLa cervical, and WHCO1 esophageal cancer cells (IC50s = 18.6, 61, and 39.2 μM, respectively).2It also inhibits human glutathione reductase andT. cruzitrypanoth...
TN3616	Cedrelone	Apoptosis; MMP; Antifection	Apoptosis; Microbiology/Virology; Proteases/Proteasome
	Cedrelone 是一种柠檬苦素类化合物，是一种吩嗪生物合成样结构域蛋白 (PBLD) 激活剂。Cedrelone 可诱导癌细胞凋亡 (apoptosis)。Cedrelone 是一种非常有效的细胞凋亡诱导剂，它能导致细胞周期停止。Cedrelone 具有杀虫活性，可抑制 P. saucia 的箭毒生长，并可抑制乳草蝽（Oncopeltus fasciatus）的蜕皮。Cedrelone具有抗肿瘤作用，对SMMC-7721、A-549、MCF-7 和 SW480 等癌细胞株具有显著的细胞毒性。
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天然产物

Citric acid monohydrate

Cat.No: T5669

Target: Others

Cat.No: T5S0636

Synonym: 柠檬酸,Citro,Citretten

Target: Apoptosis, Others, Endogenous Metabolite, Antibacterial, Antibiotic

Cat.No: T6608

Synonym: N-甲基-D-天冬氨酸,N-Methyl-D-aspartic acid

Target: Endogenous Metabolite, NMDAR, iGluR

Sophoraflavanone G

Cat.No: T5S1000

Synonym: Kushenol F,槐黄烷酮 G,Vexibinol

Target: Apoptosis

Cat.No: T3844

Synonym: 三角叶薯蓣皂苷

Target: ERK, Others, Akt, Endogenous Metabolite

Cat.No: T21771

Target: Antibiotic

Cat.No: T10390

Target: Others, Antifungal

Cat.No: TQ0298

Synonym: D-Fagomine

Target: ROS, glycosidase

Pinostrobin chalcone

Cat.No: TN2083

Synonym: 球松素查尔酮,2',3'-二羟基-4'-甲氧基查耳酮

Cat.No: T2896

Synonym: 土木香内酯,helenin,Eupatal,Helenine,(+)-Alantolactone,Alant camphor,土木香脑,Inula camphor

Target: Apoptosis, STAT, TGF-beta/Smad

Cat.No: T4519

Synonym: Alisol-A,泽泻醇 A

Target: Autophagy

Cat.No: T5S1607

Synonym: Mulberrochromene,桑辛素

Target: NF-κB, Antibacterial, STAT

5-Hydroxyflavone

Cat.No: T8190

Target: Others

Cat.No: T7032

Target: Others, P450

Cat.No: T5S1331

Target: c-Met/HGFR, Akt

Cat.No: T4964

Synonym: CCRIS-6025,菊双糖甙,甜菊双糖苷

Target: Others

Cat.No: T5543

Synonym: 四甲基哌啶酮,Odoratine,tempidon,tmpone,Vincubine,2,2,6,6-Tetramethyl-4-piperidinone

Target: Others

Astragaloside IV

Cat.No: T2973

Synonym: AST-IV,黄芪甲苷IV,AS-IV,黄芪皂苷 IV

Target: MMP, ERK, Estrogen/progestogen Receptor, JNK

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

Cat.No: T5S0055

Synonym: Helidonine,Khelidonin,白屈菜碱,Stylophorin

Target: Apoptosis, Others, Influenza Virus

Cat.No: T3908

Synonym: 10-姜酚

Target: Apoptosis

Cat.No: T3929

Synonym: Kauren-19-Oic Acid,异贝壳杉烯酸,kaurenoate,kaur-16-en-18-oic acid

Target: Others

Cat.No: T5S0053

Synonym: 黄连碱,Coptisin

Target: Indoleamine 2,3-Dioxygenase (IDO)

Cat.No: T4S1551

Synonym: Cinnamic Aldehyde,肉桂醛

Target: HIF

Cat.No: T3729

Synonym: Nipagallin A,Phyllemblin,gallic acid ethyl ester,没食子酸乙酯

Target: MMP, NF-κB, Akt, Antibacterial

Cat.No: T2S1865

Synonym: Gallic acid octyl ester,n-Octylgallate,Octyl 3,4,5-trihydroxybenzoate,Progallin O,Stabilizer GA-8,没食子酸辛酯

Target: Antioxidant, Influenza Virus, Reactive Oxygen Species, Antibacterial, Antifungal, HSV

Cat.No: T17155

Synonym: Ecteinascidin 743,曲贝替定,ET-743

Target: Apoptosis, Reactive Oxygen Species

Cat.No: T5S0106

Synonym: 贝母辛,Ebeiensine

Target: RAAS, AChR

Cat.No: TN2233

Target: Antioxidant, Antifungal

Chrysosplenol D

Cat.No: TN1493

Synonym: 猫眼草酚D

Target: IL Receptor, NF-κB, JNK

Cat.No: TN1376

Synonym: alpha-Solanine,A-茄碱

Target: MMP, Akt, PI3K

Anthragallol 1,2-dimethyl ether

Cat.No: T83104

Cat.No: TN4330

Target: Others

Anhydrosecoisolariciresinol

Cat.No: TN1392

Target: Others

4',5,7-Trihydroxy-6-prenylflavone

Cat.No: TN3009

Target: Others

Gambogic acid B

Cat.No: T82344

1,4,5,6-Tetrahydroxy-7,8-diprenylxanthone

Cat.No: TN2492

Target: Others

Cat.No: T83725

Synonym: Sakebiose

Cat.No: T2902

Synonym: Costus lactone,NSC 106404,Costunolid,(+)-Costunolide,木香烃内酯

Target: Apoptosis, Endogenous Metabolite, Telomerase

2-Deacetoxytaxinine J

Cat.No: TN2752

Target: Others

Cat.No: TN1741

Synonym: 高芒果苷

Target: Others

Cat.No: TN1728

Target: PARP, Akt, CDK

1,4,5,6-Tetrahydroxy-7-prenylxanthone

Cat.No: TN2493

Target: Others

Cat.No: TN5280

Synonym: Zeylenol

Target: Apoptosis

Protopine hydrochloride

Cat.No: TMA1944

Target: EGFR, cAMP

Cat.No: TN3401

Target: Antifection

Cat.No: TN4261

Target: Antifection

Butyrolactone V

Cat.No: T35758

Cat.No: T36448

Cat.No: TN3616

Target: Apoptosis, MMP, Antifection

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