as-85

AS-85 是一种具有细胞通透性的 ASH1L 抑制剂，具有抗白血病活性，抑制白血病细胞的生长，可增加 cLogP，降低 tPSA，可用于研究白血病。

Litoxetine 是一种选择性的5-HT 摄取抑制剂，是具有5-HT3受体拮抗剂。Litoxetine 可作为一种抗抑郁剂，在雪貂身上显示出止吐特性。Litoxetine （1和10毫克 公斤静脉注射）剂量依赖性地减少了反胃和呕吐的次数，延迟了呕吐的发生。Litoxetine 对大脑5HT3受体有亲和力（Ki = 85 nM）。

JNJ-54717793 是一种具有口服活性、脑穿透性、选择性和高亲和力的orexin-1 receptor(OX1R) 拮抗剂(血浆EC50=85 ng mL)。JNJ-54717793 的 hOX1R 和 hOX2RKi 值分别为 16 nM 和 700 nM。JNJ-54717793 是一种有效的焦虑症化合物。

Methocarbamol (AHR 85) 是口服有效的中枢肌肉松弛剂，可阻断肌肉Nav1.4通道，阻断作用具有可逆性。Methocarbamol 具有用于肌肉痉挛和疼痛综合症研究的潜力。

Cyclopenol 是一种天然化合物，可作为天然产物对照品，其 CAS 号为 20007-85-6。

Wenchuanensin 是一种天然化合物，可作为天然产物对照品，其 CAS 号为 155961-85-6。

Decyclopropane, also known as HG-7-85-01, is a chemical compound with ABL inhibitor properties. It binds to the IAP ligand through a linker, resulting in the formation of SNIPER [1].

WEE1-IN-11 (Compound 13) 作为CDK2的有效抑制剂, 其 IC50 值达到 2.0 nM。此化合物对多种细胞株显示出明显的抑制作用，包括NCI-H446、A427、OVCAR3、C33A 以及 WiDr，其 IC50 值分别为 93.9 nM、34.5 nM、86.7 nM、23.1 nM 和 85 nM。

Etoperidone是具有口服活性的抗抑郁剂，属于血清素及去甲肾上腺素再摄取拮抗剂。针对5-HT2受体、α1-肾上腺素受体、5-HT1A受体以及α2-肾上腺素受体的Kd值依次为36 nM、38 nM、85 nM和570 nM。

C1s-IN-1 trihydrochloride (Compound A1) 是 C1s 蛋白酶 (C1s protease) 的特异性抑制剂，Ki 为 5.8 μM。该化合物能够抑制 C1s 对 C2 的裂解，IC50 为 85 μM，并抑制经典途径的激活，其 IC50 为 22 μM。此外，C1s-IN-1 trihydrochloride 也是凝血酶 (thrombin) 的竞争性抑制剂，Ki 为 51.2 μM。

FLT3-IN-28 (Compound 12y) 是一种口服活性的FLT3抑制剂，展示出显著的抗肿瘤活性。该化合物能够选择性抑制携带FLT3内部串联重复 (ITD) 突变的癌细胞，在BaF3-FLT3-ITD、BaF3-TEL-VEGFR2、MV4-11、MOLM-13和MOLM-14细胞系中的IC50分别为85、290、130、65和220 nM（MV4-11和MOLM-13 14细胞系属于急性髓性白血病 (AML) 细胞，携带FLT3-ITD突变）。此外，该化合物还能够下调MOLM-13细胞中FLT3和STAT5的磷酸化水平，诱导细胞周期停滞及细胞凋亡 (Apoptosis)。在SD大鼠中，FLT3-IN-28的口服生物利用度为19.2%，并在MOLM-13异种移植NSG小鼠模型中展示出剂量依赖性地延长存活率的效果。FLT3-IN-28 具有在FLT3-ITD相关癌症研究中的潜在应用价值。

MDI-114215 (compound 85) 是变构的LIMK1 2双重抑制剂，在体内具备良好的耐受性。MDI-114215 能够抑制小鼠脑区诱导性多能干细胞 (iPSCs) 中 cofilin 的磷酸化，适用于脆性 X 综合征 (FXS) 的研究。

Cortistatin-29 is a neuropeptide that is structurally similar to somatostatin-28. It is produced by cleavage of preprocortistatin to procortistatin, which is cleaved at dibasic amino acids to form cortistatin-29 and cortistatin-14 as well as other partial cleavage products. Cortistatin mRNA is expressed in the human brain and in interneurons of the rat hippocampus and cerebral cortex. Cortistatin-29 binds to somatostatin (SST) receptors with IC50 values of 2.8, 7.1, 0.2, 3, and 13.7 nM for SST1-5, respectively. Cortistatin-29 is found at similar levels as cortistatin-14 in mouse AtT20 cells but is secreted at a lower level. Cortistatin-29 corresponds to residues 85-112 of the rat peptide sequence.

Clopidogrel Carboxylic Acid hydrochloride(氯吡格雷酸盐酸盐)是一种氯吡格雷的主要无活性代谢产物，占85%的循环氯吡格雷，由酯酶水解生成。CLPM常用于氯吡格雷代谢分析的参考标准物。

para-amino-Blebbistatin is a more water-soluble form of (S)-4'-nitro-blebbistatin , which is a more stable and less phototoxic form of (-)-blebbistatin .1,2,3 (-)-Blebbistatin is a selective cell-permeable inhibitor of non-muscle myosin II ATPases that rapidly and reversibly inhibits Mg-ATPase activity and in vitro motility of non-muscle myosin IIA and IIB for several species (IC50s = 0.5-5 μM), while poorly inhibiting smooth muscle myosin (IC50 = 80 μM).2,3,4 Through these effects, it blocks apoptosis-related bleb formation, directed cell migration, and cytokinesis in vertebrate cells. However, prolonged exposure to blue light (450-490 nm) results in degradation of blebbistatin to an inactive product via cytotoxic intermediates, which may be problematic for its use in fluorescent live cell imaging applications.5,6 The addition of a 4'-amino group increases its water solubility, decreases the inherent fluorescence, stabilizes the molecule to circumvent its degradation by prolonged blue light exposure, and decreases its phototoxicity while retaining the in vitro and in vivo activity of blebbistatin.7 para-amino-Blebbistatin has the same stereochemistry as the active (-)-blebbistatin enantiomer. |1. Várkuti, B.H., Képiró, M., Horváth, I.á., et al. A highly soluble, non-phototoxic, non-fluorescent blebbistatin derivative. Sci. Rep. 6:26141, (2016).|2. Straight, A.F., Cheung, A., Limouze, J., et al. Dissecting temporal and spatial control of cytokinesis with a myosin II inhibitor. Science 299(5613), 1743-1747 (2003).|3. Kovács, M., Tóth, J., Hetényi, C., et al. Mechanism of blebbistatin inhibition of myosin II. J. Biol. Chem. 279(34), 35557-35563 (2004).|4. Limouze, J., Straight, A.F., Mitchison, T., et al. Specificity of blebbistatin, an inhibitor of myosin II. J. Muscle Res. Cell Motil. 25(4-5), 337-341 (2004).|5. Kolega, J. Phototoxicity and photoinactivation of blebbistatin in UV and visible light. Biochem. Biophys. Res. Commun. 320(3), 1020-1025 (2004).|6. Sakamoto, T., Limouze, J., Combs, C.A., et al. Blebbistatin, a myosin II inhibitor, is photoinactivated by blue light. Biochemistry 44(2), 584-588 (2005).|7. Verhasselt, S., Roman, B.I., Bracke, M.E., et al. Improved synthesis and comparative analysis of the tool properties of new and existing D-ring modified (S)-blebbistatin analogs. Eur. J. Med. Chem. 136, 85-103 (2017).

Ganglioside GM1is a monosialylated ganglioside and the prototypic ganglioside for those containing one sialic acid residue.1,2It is found in a large variety of cells, including immune cells and neurons, and is enriched in lipid rafts in the cell membrane.3It associates with growth factor receptors, including TrkA, TrkB, and the GDNF receptor complex containing Ret and GFRα, and is required for TrkA expression on the cell surface. Ganglioside GM1interacts with other proteins to increase calcium influx, affecting various calcium-dependent processes, including inducing neuronal outgrowth during differentiation. Ganglioside GM1acts as a receptor for cholera toxin, which binds to its oligosaccharide group, facilitating toxin cell entry into epithelial cells of the jejunum.4,5Similarly, it is bound by the heat-labile enterotoxin fromE. coliin the pathogenesis of traveler's diarrhea.6Ganglioside GM1gangliosidosis, characterized by a deficiency in GM1-β-galactosidase, the enzyme that degrades ganglioside GM1, leads to accumulation of the gangliosides GM1and GA1in neurons and can be fatal in infants.1Levels of ganglioside GM1are decreased in the substantia nigra pars compacta in postmortem brain from patients with Parkinson's disease.3Ganglioside GM1mixture contains a mixture of ovine ganglioside GM1molecular species with primarily C18:0 fatty acyl chain lengths, among various others. [Matreya, LLC. Catalog No. 1544] 1.Kolter, T.Ganglioside biochemistryISRN Biochem.506160(2012) 2.Mocchetti, I.Exogenous gangliosides, neuronal plasticity and repair, and the neurotrophinsCell Mol. Life Sci.62(19-20)2283-2294(2005) 3.Ledeen, R.W., and Wu, G.The multi-tasked life of GM1 ganglioside, a true factotum of natureTrends Biochem. Sci.40(7)407-418(2015) 4.Turnbull, W.B., Precious, B.L., and Homans, S.W.Dissecting the cholera toxin-ganglioside GM1 interaction by isothermal titration calorimetryJ. Am. Chem. Soc.126(4)1047-1054(2004) 5.Blank, N., Schiller, M., Krienke, S., et al.Cholera toxin binds to lipid rafts but has a limited specificity for ganglioside GM1Immunol. Cell Biol.85(5)378-382(2007) 6.Minke, W.E., Roach, C., Hol, W.G., et al.Structure-based exploration of the ganglioside GM1 binding sites of Escherichia coli heat-labile enterotoxin and cholera toxin for the discovery of receptor antagonistsBiochemistry38(18)5684-5692(1999)

Potent inhibitor of NF-κB activation (IC50 = 85 nM); decreases IκBα phosphorylation. Attenuates LPS-induced nitric oxide production and expression of TNF-α, IL-6 and MCP. Suppresses proliferation of HeLa and HCT116 cells. Anti-inflammatory and antitumor. Hu et al (2007) Regulation of c-Src nonreceptor tyrosine kinase activity by bengamide A through inhibition of methionine aminopeptidases. Chem.Biol. 14 764 PMID:17656313 |Johnson et al (2012) Myxobacteria versus sponge-derived alkaloids: the bengamide family identified as potent immune modulating agents by scrutiny of LC-MS ELSD libraries. Bioorg.Med.Chem. 20 4348 PMID:22705020 |Kinder et al (2001) Synthesis and antitumor activity of ester-modified analogues of bengamide B. J.Med.Chem. 44 3692 PMID:11606134

Potent trace amine 1 (TA1) receptor agonist (EC50 values are 0.12, 35 and 17-85 nM for mouse, rat and human receptors, respectively). Increases wakefulness and reduces REM and NREM sleep duration in wild type mice. Inhibits spontaneous locomotor activity in dopamine transport (DAT) knockout mice. Espinoza et al (2018) Biochemical and functional characterization of the trace amine-associated receptor 1 (TAAR1) agonist RO5263397. Front.Pharmacol. 9 645 PMID:29977204 |Galley et al (2015) Discovery and characterization of 2-aminooxazolines as highly potent, selective, and orally active TAAR1 agonists. ACS.Med.Chem.Letts. 7 192 PMID:26985297 |Schwartz et al (2017) Trace amine-associated receptor 1 regulates wakefulness and EEG spectral composition. Neuropsychopharmacology. 42 1305 PMID:27658486

MDK03855, also known as A2AR antagonist 19, is an adenosine A2A receptor (A2AR) antagonist. MDK03855 has CAS#1454903-85-5. The last five digit of CAS# was used for name.

PKCε (85-92)（ψεRACK）是一种多肽和选择性PKCε激活剂，不影响其他PKC同工酶的活性。PKCε (85-92)可诱导内皮细胞的促血管生成反应，促进FGF-2胞吐，调节VEGF活性。

Antifungalagent 85 (compound 24f)是一种抗真菌剂，对多种革兰氏阳性菌表现出良好的活性，其最小抑制浓度(MIC)范围为2.5 - 10?μM。

HG-7-85-01-NH2 是 SNIPER(ABL)-033 的配体。该化合物通过将 HG-7-85-01 (ABL 抑制剂) 透过 linker 与 LCL161 衍生物 (IAP 配体) 结合形成 SNIPER(ABL)-033，该结合物能有效促进 BCR-ABL 蛋白的降解，表现出 0.3 μM 的 DC50 值。

HSD17B13-IN-73 (Compound 85) 作为一种羟基类固醇 17β-脱氢酶 13 (HSD17B13) 抑制剂，展现出对雌二醇的强效抑制作用，其IC50值低于 0.1 μM。此化合物主要用于肝病和代谢性疾病的相关研究。

HSD17B13-IN-85 (186) 是 17β-羟基类固醇脱氢酶 (HSD17B13) 的抑制剂，其对雌二醇的 IC50 值为 <0.1 μM，用于非酒精性脂肪肝研究。