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45

抑制剂 & 化合物

6

天然产物

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Cat. No.	Product Name	Target	Signaling Pathways
T9685	DS-1971a	Sodium Channel	Membrane transporter/Ion channel
	DS-1971a 是选择性、口服有效的 NaV1.7抑制剂，对 hNaV1.7 和 mNaV1.7 的 IC50分别为 22.8 和 59.4 nM。DS-1971a 在缓解疼痛方面有研究价值。
T23498	UNC3230 UNC 3230	Others	Others
	UNC3230 是一种 ATP 竞争性的磷脂酰肌醇 4 磷酸 5 激酶 1C 型 (PIP5K1C) 选择性抑制剂，其IC50约为 41 nM。它还可抑制PIP4K2C，但对其他调节磷酸肌醇水平的脂质激酶无抑制作用。它具有缓解疼痛和抗癌特性。
T3146	BMS-202 PD1-PDL1 inhibitor 2,PD-1/PD-L1 inhibitor 2	Apoptosis; PD-1/PD-L1	Apoptosis; Cell Cycle/Checkpoint; Immunology/Inflammation
	BMS-202 (PD1-PDL1 inhibitor 2) 是一种非肽类 PD-1/PD-L 复合物抑制剂，其 IC50为 18 nM，KD 为 8 μM。它与 PD-L1 直接结合并阻断人类 PD-1/PD-L 的相互作用，具有抗肿瘤活性。
T28973	TIBI	Others	Others
	TIBI 是一种 ATP 竞争性 Rio1 抑制剂，作用方式和丰加霉素相似，可增强酶的热稳定性。
T22447	Tri-Salicylic Acid 三水杨酸	Others	Others
	Tri-Salicylic acid 是一种和水杨酸具有相似性质的化合物。它对肥胖、炎症及心血管疾病具有潜在的研究价值。
T65641	TAPS	Others	Others
	TAPS 是一种生物缓冲液，可以保护溶酶菌结构的完整性，防止其在高温下热变性。TAPS 在 pKa 为 8.1 时，连接蛋白通道活性达到半最大值。
T15192	Eact	Chloride channel	Membrane transporter/Ion channel
	Eact 是一种选择性和有效的 TMEM16A 激活剂，可直接激活感觉伤害感受器中的 TRPV1 通道，还会产生瘙痒、急性伤害感受和热过敏。
T7363	Ibuprofen Piconol U75630,匹美诺芬,布洛芬吡啶甲醇	Others	Others
	Ibuprofen Piconol (U75630) 是非甾体抗炎药物，局部使用可缓解原发性热灼伤和晒伤。
T12632	(R)-Mirtazapine (R)-Org3770,(R)-6-Azamianserin	5-HT Receptor	GPCR/G Protein; Neuroscience
	(R)-Mirtazapine ((R)-Org3770) 是 Mirtazapine 的 R(-)-对映体，在急性热痛觉动物模型中具有抗伤害感受的特性。(R)-Mirtazapine 是 5-HT3 受体的拮抗剂，是一种潜在的镇痛剂。
T21380	Pravadoline WIN 48098-6,WIN48098-6,普拉朵林,WIN-48098-6	Cannabinoid Receptor	GPCR/G Protein
	Pravadoline (WIN48098-6) 是一种 cannabinoid 受体激动剂。 Pravadoline 抑制小鼠大脑中的 PGs 合成，并在受到各种热、化学和机械伤害性刺激的啮齿动物中显示出镇痛活性。
T19820	MOPS sodium salt MOPS-Na,3-(N-morpholino)propanesulfonic acid sodium salt,3-吗啉丙磺酸钠盐,Sodium 3-Morpholinopropanesulfonate,4-Morpholinepropanesulfonic acid, sodium salt	Others	Others
	MOPS sodium salt (MOPS-Na) 在生物学中常用作缓冲剂。其中MOPS 缓冲液能使哺乳动物细胞培养基的 pH 值保持稳定。
T14198	ALX-1393	GlyT	Neuroscience
	ALX-1393 是一种选择性 GlyT2 抑制剂，通过浓度依赖性的方式有效地降低了神经元动作电位的活性，抑制自发网络通过在脊髓腹角诱导甘氨酸能强直电流的活动。对大鼠急性疼痛模型中的热，机械和化学刺激具有抗伤害作用。
T37610	AT-121	Opioid Receptor	Endocrinology/Hormones; GPCR/G Protein; Neuroscience
	AT-121 是一种双重μ-阿片和神经肽受体部分激动剂（Kis 分别为 16.49 和 3.67 nM）。它能刺激[35S]GTPγS 与表达μ-阿片受体或神经肽受体的细胞膜结合（EC50s 分别为 19.6 和 34.7 nM）。AT-121（0.003-0.03 mg/kg）能以剂量依赖的方式降低辣椒素诱导的热异感，但不会增加恒河猴的搔抓活动。在恒河猴药物自我给药试验中，AT-121 每次注射剂量为 0.3 至 10 μg/kg，它缺乏强化作用（一种潜在的滥用标志），不能减少食物颗粒的强化作用。AT-121（0.01 或 0.03 毫克/千克）不会诱发恒河猴的超痛觉，超痛觉是产生耐受性的标志。AT-121 是一种安全、无成瘾性的缓解疼痛药，具有抗伤害和止痛作用。
T38437	NMTCA N-Nitroso-2-methylthiazolidine4-carboxylicacid,NMTPRO,N-nitrosomethylthioproline
	NMTCA (NMTPRO) is a sulfur-containing N-nitrosamino acid utilized as an endogenous nitrosation indicator in gas chromatography-thermal energy analysis.
T60563	NLRP3/AIM2-IN-1
	NLRP3/AIM2-IN-1是热脓毒症的抑制剂(IC50 = 3.136 ± 0.7667 μM)，显示出适度的反热光活性。
T39339	Ochratoxin α
	Ochratoxin α is a less toxic photolytic and thermal degradation product of Ochratoxin A.
T68409	SHP244
	SHP244 is an allosteric inhibitor of SHP2 with modest thermal stabilization of the enzyme.
T23642L	ADR-851 HCl Adr-851,Adr 851,Adr851
	ADR-851 HCl is an HT3 receptor antagonist. It works against mechanical, acute thermal, and formalin-induced inflammatory pain.
T61858	HDAC8-IN-3
	HDAC8-IN-3 (compound P19) is a highly potent inhibitor of HDAC8, displaying an IC50 value of 9.3 μM and producing thermal stabilization. Moreover, HDAC8-IN-3 exhibits cytotoxicity and induces apoptosis specifically in leukemic cell lines [1].
T21393	Ethopropazine Hydrochloride Lysivane,Parphezein,Dibutil,Parfezin,Profenamine HCl,Pardisol
	Ethoproprazine hydrochloride is an butyrylcholinesterase inhibitor. It reduces extrapyramidal motor effects and used as an antidyskinetic, characteristic of Parkinson′s disease. It also alleviates thermal hyperalgesia in rats.
T32217	Isomaltol
	Isomaltol is a natural furan obtained by the enzymatic degradation of starch used as also a flavor component in bread crust produced by thermal degradation of sugars.
T35788	Orlistat Degradation Product (sodium salt)
	Orlistat degradation product is a degradation product of the digestive lipase inhibitor orlistat . It is formed via hydrolytic and thermal degradation as well as digestion by human carboxyl ester lipase.
T19386	ITIC	CXCR	Autophagy; GPCR/G Protein; Immunology/Inflammation
	ITIC, a non-fullerene acceptor, demonstrates exceptional thermal stability and exhibits a glass-crystal transition at a significantly lower temperature than its high glass transition temperature (Tg) of 180 °C. Furthermore, ITIC, which is an indacenodithienothiophene-based postfullerene electron acceptor, displays a distinct crystallization behavior, differing substantially from that of fullerenes.
T80501	Myr-TAT-CBD3	Calcium Channel	Membrane transporter/Ion channel; Metabolism
	Myr-TAT-CBD3是CRMP2-CaV2.2交互作用的抑制剂，有效减弱角叉菜胶诱导的热超敏反应，并能逆转大鼠术后疼痛模型的热超敏反应，适用于炎症和术后疼痛研究。
T78457	Pyrromethene 597
	Pyrromethene 597 是一种具有宽波长调谐范围及高光稳定性的 BODIPY 激光染料，可作为热探针使用。
T37704	Olanzapine Lactam Impurity
	Olanzapine lactam impurity is a potential impurity found in commercial preparations of olanzapine.1It is a degradation product formed by exposure to thermal or oxidative stress. 1.Baertschi, S.W., Brunner, H., Bunnell, C.A., et al.Isolation, identification, and synthesis of two oxidative degradation products of olanzapine (LY170053) in solid oral formulationsJ. Pharm. Sci.97(2)883-892(2008)
T72098	Eleven-Nineteen-Leukemia Protein IN-3	Epigenetic Reader Domain	Chromatin/Epigenetic
	Eleven-Nineteen-Leukemia Protein IN-3为口服活性ENL YEATS结构域抑制剂，IC50为15.4 nM。该化合物可通过下调细胞内MYC表达增强ENL蛋白的体外热稳定性。
T15167	Draflazine R-75231	Others	Others
	Draflazine is an ENT1 inhibitor. It completely reverses the hypersensitivity in the complete Freund’s adjuvant (CFA) model of mechanical hyperalgesia. Draflazine also completely reverses the hypersensitivity of the carrageenan inflammation model of therma
T63549	MRGPRX1 agonist 4
	MRGPRX1 agonist 4 是有效的、口服具有活力的 Mas 相关 G 蛋白偶联受体 X1 (MRGPRX1)正向变构调节剂 (EC50: 0.1 μM)。MRGPRX1 agonist 4 表现出良好的代谢稳定性以及口服生物利用度。MRGPRX1 agonist 4 能够改善人源性 MRGPRX1 神经疼痛模型小鼠行为性热过敏反应。
T72096	Eleven-Nineteen-Leukemia Protein IN-1	Epigenetic Reader Domain	Chromatin/Epigenetic
	Eleven-Nineteen-Leukemia Protein IN-1 为ENL YEATS域抑制剂，具有IC50 14.5 nM。该化合物通过与ENL蛋白相互作用，提升ENL蛋白的体外热稳定性。
T41148	Phototrexate
	Phototrexate is a photoswitchable potent inhibitor of human dihydrofolate reductase (DHFR). Phototrexate is a photochromic analog of Methotrexate. Antifolate activity is switched on (cis-Phototrexate) by UVA (375 nm) light; it can be switched off (trans-Phototrexate) by blue or white light and by thermal relaxation in the dark.cis-Phototrexate (IC50 = 6 nM) significantly reduces the viability of HeLa cells compared withtrans-Phototrexate (IC50 = 34 μM).
T78354	Subtilisin EC 3.4.21.14
	Subtilisin，一种细菌来源的丝氨酸蛋白酶，通常作为洗涤剂添加剂使用，特征包括热稳定性、对pH的耐受性和钙依赖性稳定性。
T80385	K11
	K11是一种具有针对MDR/XDR K. pneumoniae活性的抗菌肽（MIC: 8-512 μg/mL），能够抑制该细菌的生物膜的形成。它还可以与多种抗生素（如Chloramphenicol、Meropenem、Rifampicin等）产生协同效应，增强对耐药K. pneumoniae的抗性。此外，K11显示出良好的高温稳定性和在宽pH范围内的稳定性。
T61723	SS-RJW100
	SS-RJW100 is an enantiomer of RJW100, known as a racemic agonist that targets two nuclear receptors: liver receptor homolog 1 (LRH-1) and steroidogenic factor 1 (SF-1). In vitro experiments reveal that SS-RJW100 promotes the recruitment of coregulator protein fragments and enhances the interaction with the transcriptional intermediary factor 2 (Tif2) coactivator specifically for LRH-1. Additionally, SS-RJW100 disrupts the allosteric activation networks of LRH-1, displaying suboptimal thermal sta...
T82451	Epsilon-polylysine ε-Polylysine,ε-PL
	Epsilon-polylysine 是由特定细菌产生的抗菌肽，主要用作食品和饮料的防腐剂。它能有效抑制各类微生物如细菌、酵母菌和霉菌的生长。该化合物因其热稳定性、耐酸性和广谱抗菌活性，成为理想的食品添加剂。
T61891	SHP2-IN-8
	SHP2-IN-8 是一种可逆、非竞争性、选择性、高效性的变构SHP2抑制剂（IC50= 23 nM，Ki= 22 nM），在细胞中也有效果。SHP2-IN-8 能引起显著的热位移（ΔTm = 7.01 ℃）。SHP2-IN-8 可抑制AKT 的磷酸化，诱导 Hela 细胞凋亡 (apoptosis)。
T38193	β-Endorphin (1-27) (human) (trifluoroacetate salt)
	β-Endorphin (1-27) is an endogenous peptide that binds to μ-, δ-, and κ-opioid receptors (Kis = 5.31, 6.17, and 39.82 nM, respectively, in COS-1 cells expressing rat receptors). It binds to rat and mouse brain membrane preparations (IC50s = 1.1 and 5.7 nM, respectively) and induces chemotaxis of human monocytes in vitro when used at a concentration of 1 nM. Intracerebroventricular administration of β-endorphin (1-27) increases the latency to tail withdrawal in response to thermal stimulation in ...
T82470	Endokinin C
	Endokinin C作为内皮激肽系列中的肽类成分，在疼痛途径中扮演神经递质或调节剂的角色。该化合物的预处理能有效抑制endokinin A/B引发的小鼠划痕行为以及对热的过敏反应。
T38147	(S)-AM1241 (S)-AM1241
	(S)-AM1241 binds to cannabinoid (CB) receptors and is selective for the CB2 over the CB1 receptor (Kis = 658 and >10,000 nM, respectively, in a membrane assay using human receptors). (S)-1241 acts as an agonist at human, rat, and mouse CB2 receptors but shows greater activity at human CB2 (EC50 = 131 nM) than at rat and mouse CB2 receptors (EC50 = 785 and 2,000 nM, respectively). Similar to the racemate AM1241 , (S)-AM1241 produces antinociception to thermal, but not mechanical, pain in rats. Th...
T37182	AX 048
	The group IVA phospholipase A2 (PLA2), known as calcium-dependent cytosolic PLA2 (cPLA2), selectively releases arachidonic acid from membrane phospholipids, playing a central role in initiating the synthesis of prostaglandins and leukotrienes. AX 048 is a potent group IVA cPLA2 inhibitor that demonstrates 50% inhibition of the enzyme at a mole fraction (XI(50)) of 0.022. Pretreatment with AX 048 (ED50 = 1.2 mg/kg) dose-dependently reduces thermal hyperalgesia evoked by carrageenan injection of r...
T80446	ω-Conotoxin FVIA	Calcium Channel	Membrane transporter/Ion channel; Metabolism
	ω-Conotoxin FVIA为N型钙离子通道(Cav2.2)的抑制剂，具有减轻尾神经损伤大鼠模型所诱导的机械性和热性异常疼痛的作用。该化合物在开发高效且低副作用止痛药物的研究中具有潜在应用价值。
T82939	ATTO 425 NHS ester
	ATTO 425 NHS ester是一款新型的荧光标记物，基于罗丹明(Rhodamine)结构设计。它特征为强吸收力、高荧光量子产率、良好的热稳定性与光化学稳定性，适用于单分子检测和高分辨率显微技术。作为ATTO 425的NHS酯衍生物，此化合物能有效标记蛋白或抗体。
T38030	(R)-AM1241 (R)-AM1241
	(R)-AM1241 binds to cannabinoid (CB) receptors and has greater than 100-fold selectivity for the CB2 over the CB1 receptor (Kis = 15 and 5,000 nM, respectively, in a membrane assay using human receptors). (R)-AM1241 acts as an agonist at human CB2 receptors (EC50 = 118 nM) but an inverse agonist at rat and mouse CB2 receptors (EC50s = 315 and 341 nM, respectively). Similar to the racemate AM1241 , (R)-AM1241 produces antinociception to thermal, but not mechanical, pain in rats. The pain-reducing...
T83731	Tat-CBD3 TFA
	Tat-CBD3是一种抑制N型电压门控钙通道Cav2.2与collapsin response mediator protein 2 (CRMP2)之间的蛋白质-蛋白质相互作用的抑制剂。它还能抑制CRMP2与NMDA受体NR2B亚单位之间的蛋白质-蛋白质相互作用。在无细胞实验中，Tat-CBD3 (10 µM)能将Cav2.2-CRMP2相互作用抑制43%，并在免疫共沉淀实验中抑制NMDA受体NR2B亚单位-CRMP2相互作用。它能在初级大鼠背根神经节 (DRG) 神经元中减少约60%的电压诱导钙电流，并在初级大鼠海马神经元中减少谷氨酸诱导的胞内钙水平增加。Tat-CBD3 (20 mg/kg)在大鼠中脑动脉闭塞 (MCAO) 引发的脑缺血模型中减少梗死体积。鞘内给药Tat-CBD3 (20 µg/5 µl)可防止大鼠卡拉胶诱导的热敏感性。
T36722	Deltorphin II (trifluoroacetate salt)
	Deltorphin II is a peptide agonist of δ2-opioid receptors.1,2It is selective for δ-opioid receptors over μ- and κ-opioid receptors in radioligand bindings assays (Kis = 0.0033, >1, and >1 μM, respectively) and induces [35S]GTPγS binding in mouse brain membrane preparations (EC50= 0.034 μM). Deltorphin II (0.12 mg/kg) decreases the infarction zone:risk zone ratio in a rat model of myocardial ischemia-reperfusion injury induced by coronary occlusion, an effect that can be reversed by the δ2-opioid...

化合物

Cat.No: T9685

Target: Sodium Channel

Cat.No: T23498

Synonym: UNC 3230

Target: Others

Cat.No: T3146

Synonym: PD1-PDL1 inhibitor 2,PD-1/PD-L1 inhibitor 2

Target: Apoptosis, PD-1/PD-L1

Cat.No: T28973

Target: Others

Tri-Salicylic Acid

Cat.No: T22447

Synonym: 三水杨酸

Target: Others

Cat.No: T65641

Target: Others

Cat.No: T15192

Target: Chloride channel

Ibuprofen Piconol

Cat.No: T7363

Synonym: U75630,匹美诺芬,布洛芬吡啶甲醇

Target: Others

(R)-Mirtazapine

Cat.No: T12632

Synonym: (R)-Org3770,(R)-6-Azamianserin

Target: 5-HT Receptor

Cat.No: T21380

Synonym: WIN 48098-6,WIN48098-6,普拉朵林,WIN-48098-6

Target: Cannabinoid Receptor

MOPS sodium salt

Cat.No: T19820

Synonym: MOPS-Na,3-(N-morpholino)propanesulfonic acid sodium salt,3-吗啉丙磺酸钠盐,Sodium 3-Morpholinopropanesulfonate,4-Morpholinepropanesulfonic acid, sodium salt

Target: Others

Cat.No: T14198

Target: GlyT

Cat.No: T37610

Target: Opioid Receptor

Cat.No: T38437

Synonym: N-Nitroso-2-methylthiazolidine4-carboxylicacid,NMTPRO,N-nitrosomethylthioproline

NLRP3/AIM2-IN-1

Cat.No: T60563

Cat.No: T39339

Cat.No: T68409

Cat.No: T23642L

Synonym: Adr-851,Adr 851,Adr851

Cat.No: T61858

Ethopropazine Hydrochloride

Cat.No: T21393

Synonym: Lysivane,Parphezein,Dibutil,Parfezin,Profenamine HCl,Pardisol

Cat.No: T32217

Orlistat Degradation Product (sodium salt)

Cat.No: T35788

Cat.No: T19386

Target: CXCR

Cat.No: T80501

Target: Calcium Channel

Pyrromethene 597

Cat.No: T78457

Olanzapine Lactam Impurity

Cat.No: T37704

Eleven-Nineteen-Leukemia Protein IN-3

Cat.No: T72098

Target: Epigenetic Reader Domain

Cat.No: T15167

Synonym: R-75231

Target: Others

MRGPRX1 agonist 4

Cat.No: T63549

Eleven-Nineteen-Leukemia Protein IN-1

Cat.No: T72096

Target: Epigenetic Reader Domain

Cat.No: T41148

Cat.No: T78354

Synonym: EC 3.4.21.14

Cat.No: T80385

Cat.No: T61723

Epsilon-polylysine

Cat.No: T82451

Synonym: ε-Polylysine,ε-PL

Cat.No: T61891

β-Endorphin (1-27) (human) (trifluoroacetate salt)

Cat.No: T38193

Cat.No: T82470

Cat.No: T38147

Synonym: (S)-AM1241

Cat.No: T37182

ω-Conotoxin FVIA

Cat.No: T80446

Target: Calcium Channel

ATTO 425 NHS ester

Cat.No: T82939

Cat.No: T38030

Synonym: (R)-AM1241

Cat.No: T83731

Deltorphin II (trifluoroacetate salt)

Cat.No: T36722

Cat. No.	Product Name	Target	Signaling Pathways
T12297	Oleuropeinic acid	Others	Others
	Oleuropeinic acid 是一种抗氧化剂可溶性纤维，存在于橄榄组织中或通过热处理形成，可能是由橄榄苦苷的氧化形成。
T2723	Ketoisophorone 茶香酮,4-Oxoisophorone,2,6,6-Trimethyl-2-cyclohexene-1,4-dione	Others	Others
	Ketoisophorone (2,6,6-Trimethyl-2-cyclohexene-1,4-dione) 是工业上重要的环状内酯，是合成类胡萝卜素和调味剂的关键中间体。
TN6962	Docosane	Others	Others
	Docosane 是一种直链烷烃，可用于合成具有热能储存/释放能力的结构复合材料。
TCS2070	Homogentisic acid 高龙胆酸,2,5-dihydroxyphenylacetic acid,Homogentisinic Acid,Melanic acid	Antioxidant; Endogenous Metabolite	Metabolism; oxidation-reduction
	Homogentisic acid (2,5-dihydroxyphenylacetic acid) 是一种尿液和血清代谢物中的特定代谢物，可用于尿黑酸尿症的诊断。
T21101	1-Decanol 1-Hydroxydecane,Caprinic alcohol,Decyl alcohol,Decanol,n-Decanol,Alcohol C-10
	1-Decanol is used in the production of lubricants, surfactants, plasticizers, and solvents. It is also used to study the thermal properties of polymer-monolithic stationary phases and is used to enhance the homomeric glycine receptor function. It is used
T80950	Tricetin 7-O-glucoside
	Tricetin 7-O-glucoside (compound 33)为一种黄酮类单-O-糖苷。

天然产物

Oleuropeinic acid

Cat.No: T12297

Target: Others

Cat.No: T2723

Synonym: 茶香酮,4-Oxoisophorone,2,6,6-Trimethyl-2-cyclohexene-1,4-dione

Target: Others

Cat.No: TN6962

Target: Others

Homogentisic acid

Cat.No: TCS2070

Synonym: 高龙胆酸,2,5-dihydroxyphenylacetic acid,Homogentisinic Acid,Melanic acid

Target: Antioxidant, Endogenous Metabolite

Cat.No: T21101

Synonym: 1-Hydroxydecane,Caprinic alcohol,Decyl alcohol,Decanol,n-Decanol,Alcohol C-10

Tricetin 7-O-glucoside

Cat.No: T80950

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