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HIT214323707
 sdf 文件
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HIT214323707
  • HIT ID:HIT214323707
  • Cas No:2715123-88-7
  • 常用名:IRE1α kinase-IN-6
  • 别名:IRE1α kinase-IN-6
  • IUPAC:N-[6-chloro-3-(2-chlorobenzenesulfonamido)-2-fluorophenyl]-4-{[(1r,4r)-4-aminocyclohexyl]amino}thieno[3,2-d]pyrimidine-7-carboxamide
    IUPAC:N-[6-chloro-3-(2-chlorobenzenesulfonamido)-2-fluorophenyl]-4-{[(1r,4r)-4-aminocyclohexyl]amino}thieno[3,2-d]pyrimidine-7-carboxamide
  • InChI key:DBPGUQYBXNJEQQ-HDJSIYSDSA-N
  • 分子式:C25H23Cl2FN6O3S2
  • 分子量:609.52
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2ccccc2Cl)c1F |wU:4.7,wD:1.0,(-4,-5.39,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-1.94,3.48,;-.91,4.63,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-3.37,7.87,;-4.87,8.19,;-5.91,7.05,;-7.41,7.37,;-7.89,8.83,;-9.35,8.36,;-6.42,9.31,;-8.36,10.3,;-7.33,11.44,;-7.81,12.91,;-9.31,13.23,;-10.35,12.08,;-9.87,10.62,;-10.9,9.48,;-5.43,5.59,;-6.46,4.44,)|
    SMILES:N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2ccccc2Cl)c1F |wU:4.7,wD:1.0,(-4,-5.39,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-1.94,3.48,;-.91,4.63,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-3.37,7.87,;-4.87,8.19,;-5.91,7.05,;-7.41,7.37,;-7.89,8.83,;-9.35,8.36,;-6.42,9.31,;-8.36,10.3,;-7.33,11.44,;-7.81,12.91,;-9.31,13.23,;-10.35,12.08,;-9.87,10.62,;-10.9,9.48,;-5.43,5.59,;-6.46,4.44,)|
  • IRE1α kinase-IN-6 is a potent IRE1α inhibitor with an IC 50 value of 4.4 nM.
市场产品/服务共显示1个结果
  • 供应商
    TargetMolSC
    规格
    货期
    6-8周
    纯度
    -
    ¥ 10,600.00
    1

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