A37

• 常用名: A37
• 英文名: A37
• CAS号: 896795-60-1
• 分子量: 431.572
• 密度: N/A
• 沸点: N/A
• 分子式: C₂₁H₂₅N₃O₃S₂
• 熔点: N/A
• 闪点: N/A
• 符号: GHS07
• 信号词: Warning

A37用途

CM037是ALDH1A1(乙醛脱氢酶1A1)的选择性抑制剂,IC50为4.6µM【1】。

A37名称

• 英文名: CM037

A37生物活性

• 描述: CM037是ALDH1A1(乙醛脱氢酶1A1)的选择性抑制剂,IC50为4.6µM【1】。
• 相关类别:
  信号通路 >> 代谢酶/蛋白酶 >> 醛脱氢酶(ALDH)
  研究领域 >> 癌症
• 参考文献:

  [1]. Morgan CA, Hurley TD. Characterization of two distinct structural classes of selective aldehyde dehydrogenase 1A1 inhibitors. J Med Chem. 2015 Feb 26;58(4):1964-75.

A37物理化学性质

• 分子式: C₂₁H₂₅N₃O₃S₂
• 分子量: 431.572
• 精确质量: 431.133728
• InChIKey: SKDRHRAYBYQVNU-UHFFFAOYSA-N
• SMILES: CCOC(=O)CSc1nc2c(sc3ccccc32)c(=O)n1CCCN1CCCC1
• 储存条件: -20°C，密闭，干燥

A37安全信息

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319
• 警示性声明: P280-P305 + P351 + P338-P337 + P313
• 危险品运输编码: NONH for all modes of transport

A37靶点实验

查看更多实验

实验名称：Inhibition of human ALDH1A1 assessed as NADH formation using propionaldehyde as subst... 来源：ChEMBL 靶标：Aldehyde dehydrogenase 1A1 External Id：CHEMBL4825196

实验名称：Primary qHTS assay for small molecule inhibitors of Inositol hexaphosphate kinase 1 (... 来源：NCGC External Id：IP6K1-p1

实验名称：Inhibition of recombinant human ALDH1A1 using propionaldehyde as substrate at 20 uM p... 来源：ChEMBL 靶标：Aldehyde dehydrogenase 1A1 External Id：CHEMBL3418217

实验名称：Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincub... 来源：ChEMBL 靶标：Aldehyde dehydrogenase 1A1 External Id：CHEMBL4189991

实验名称：Inhibition of ALDH1A1 in human MIAPaCa2 cells after 30 mins by aldefluor assay 来源：ChEMBL 靶标：Aldehyde dehydrogenase 1A1 External Id：CHEMBL4189992

实验名称：Cytochrome P450 family 3 subfamily A member 4 (CYP3A4) small molecule antagonists: lu... 来源：NCGC External Id：CYP3A4437

实验名称：Cytochrome P450 family 2 subfamily D member 6 (CYP2D6) small molecule antagonists: lu... 来源：NCGC External Id：CYP2D6395

实验名称：Small-molecule inhibitors of ST2 (IL1RL1) 来源：20881 靶标：interleukin-1 receptor-like 1 isoform [homo sapiens] External Id：ST2_IL33_Inhibitors_Primary_Screening_77700

实验名称：Cytochrome P450 family 2 subfamily C member 9 (CYP2C9) small molecule antagonists: lu... 来源：NCGC External Id：CYP2C9536

实验名称：Cytotoxicity against 3D culture of human OV90 cells assessed as decrease in cell viab... 来源：ChEMBL 靶标：OV-90 External Id：CHEMBL4190000

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A37英文别名

• 2-[[3,4-Dihydro-4-oxo-3-[3-(1-pyrrolidinyl)propyl][1]benzothieno[3,2-d]pyrimidin-2-yl]thio]-acetic acid ethyl ester
• Acetic acid, 2-[[3,4-dihydro-4-oxo-3-[3-(1-pyrrolidinyl)propyl][1]benzothieno[3,2-d]pyrimidin-2-yl]thio]-, ethyl ester
• ethyl 2-((4-oxo-3-(3-(pyrrolidin-1-yl)propyl)-3,4-dihydrobenzo[4,5]thieno[3,2-d]pyrimidin-2-yl)thio)acetate