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HIT212670727
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HIT212670727
  • HIT ID:HIT212670727
  • Cas No:1373409-08-5
  • 常用名:EML4-ALK kinase inhibitor 1
  • 别名:EML4-​ALK kinase inhibitor 1, EML4 ALK kinase inhibitor 1
    别名:EML4-​ALK kinase inhibitor 1, EML4 ALK kinase inhibitor 1
  • IUPAC:6-ethyl-3-({3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)-5-{[(1r,4r)-4-methoxycyclohexyl]amino}pyrazine-2-carboxamide
    IUPAC:6-ethyl-3-({3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)-5-{[(1r,4r)-4-methoxycyclohexyl]amino}pyrazine-2-carboxamide
  • InChI key:KBHZCRDGGWIHQF-SAIGFBBZSA-N
  • 分子式:C31H48N8O3
  • 分子量:580.778
  • 氢键供体数 (HBD):3
  • 氢键受体数 (HBA):10
  • LogP:3.8878934
  • SMILES:CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1N[C@H]1CC[C@@H](CC1)OC |wU:37.44,wD:34.37,(13.34,-13.86,;12,-14.63,;12,-16.17,;13.34,-16.94,;13.34,-18.48,;14.67,-19.25,;14.67,-20.79,;16,-18.48,;12,-19.25,;12,-20.79,;10.67,-21.56,;9.34,-20.79,;8,-21.56,;8,-23.1,;6.67,-23.87,;6.67,-25.41,;5.33,-26.18,;4,-25.41,;4,-23.87,;5.33,-23.1,;2.67,-26.18,;2.67,-27.72,;1.33,-28.49,;,-27.72,;-1.33,-28.49,;,-26.18,;1.33,-25.41,;9.34,-23.87,;9.34,-25.41,;8,-26.18,;10.67,-23.1,;10.67,-18.48,;10.67,-16.94,;9.34,-16.17,;9.34,-14.63,;10.67,-13.86,;10.67,-12.32,;9.34,-11.55,;8,-12.32,;8,-13.86,;9.34,-10.01,;8,-9.24,)|
    SMILES:CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1N[C@H]1CC[C@@H](CC1)OC |wU:37.44,wD:34.37,(13.34,-13.86,;12,-14.63,;12,-16.17,;13.34,-16.94,;13.34,-18.48,;14.67,-19.25,;14.67,-20.79,;16,-18.48,;12,-19.25,;12,-20.79,;10.67,-21.56,;9.34,-20.79,;8,-21.56,;8,-23.1,;6.67,-23.87,;6.67,-25.41,;5.33,-26.18,;4,-25.41,;4,-23.87,;5.33,-23.1,;2.67,-26.18,;2.67,-27.72,;1.33,-28.49,;,-27.72,;-1.33,-28.49,;,-26.18,;1.33,-25.41,;9.34,-23.87,;9.34,-25.41,;8,-26.18,;10.67,-23.1,;10.67,-18.48,;10.67,-16.94,;9.34,-16.17,;9.34,-14.63,;10.67,-13.86,;10.67,-12.32,;9.34,-11.55,;8,-12.32,;8,-13.86,;9.34,-10.01,;8,-9.24,)|
  • EML4-ALK kinase inhibitor 1 (EML4 ALK kinase inhibitor 1) 是有效的、具有口服活性的类棘皮细胞微管相关蛋白4-间变性淋巴瘤激酶 (EML4-ALK) 的抑制剂,其 IC50 值为 1 nM。
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  • 供应商
    TargetMolSC
    规格
    货期
    1-3天
    纯度
    99.62%
    ¥ 882.00
    1

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