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HIT212669439
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HIT212669439
  • HIT ID:HIT212669439
  • Cas No:2099142-76-2
  • 常用名:BAY-850
  • IUPAC:2-chloro-N-[(2R)-1-(4-cyanophenyl)-3-{[(1s,4s)-4-aminocyclohexyl]amino}propan-2-yl]-4-methoxy-5-[5-({[(1R)-1-(4-methylphenyl)ethyl]amino}methyl)furan-2-yl]benzamide
    IUPAC:2-chloro-N-[(2R)-1-(4-cyanophenyl)-3-{[(1s,4s)-4-aminocyclohexyl]amino}propan-2-yl]-4-methoxy-5-[5-({[(1R)-1-(4-methylphenyl)ethyl]amino}methyl)furan-2-yl]benzamide
  • InChI key:BSISGUIVBKDTQO-QIKYYPRYSA-N
  • 分子式:C38H44ClN5O3
  • 分子量:654.25
  • 氢键供体数 (HBD):4
  • 氢键受体数 (HBA):6
  • LogP:6.2044916
  • SMILES:COc1cc(Cl)c(cc1-c1ccc(CN[C@H](C)c2ccc(C)cc2)o1)C(=O)N[C@@H](CN[C@@H]1CC[C@H](N)CC1)Cc1ccc(cc1)C#N |wU:31.33,34.37,15.16,wD:28.30,(-7.8,-.11,;-6.47,-.88,;-5.14,-.11,;-5.14,1.43,;-3.8,2.2,;-3.8,3.74,;-2.47,1.43,;-2.47,-.11,;-3.8,-.88,;-3.8,-2.42,;-2.56,-3.33,;-3.03,-4.79,;-4.57,-4.79,;-5.48,-6.04,;-7.01,-5.88,;-7.91,-7.13,;-9.45,-6.96,;-7.29,-8.53,;-5.76,-8.69,;-5.13,-10.1,;-6.03,-11.35,;-5.41,-12.75,;-7.57,-11.19,;-8.19,-9.78,;-5.05,-3.33,;-1.13,2.2,;.2,1.43,;-1.13,3.74,;.2,4.51,;1.53,3.74,;2.87,4.51,;4.2,3.74,;4.2,2.2,;5.53,1.43,;6.87,2.2,;8.2,1.43,;6.87,3.74,;5.53,4.51,;.2,6.05,;1.53,6.82,;1.53,8.36,;2.87,9.13,;4.2,8.36,;4.2,6.82,;2.87,6.05,;5.53,9.13,;6.87,9.9,)|
    SMILES:COc1cc(Cl)c(cc1-c1ccc(CN[C@H](C)c2ccc(C)cc2)o1)C(=O)N[C@@H](CN[C@@H]1CC[C@H](N)CC1)Cc1ccc(cc1)C#N |wU:31.33,34.37,15.16,wD:28.30,(-7.8,-.11,;-6.47,-.88,;-5.14,-.11,;-5.14,1.43,;-3.8,2.2,;-3.8,3.74,;-2.47,1.43,;-2.47,-.11,;-3.8,-.88,;-3.8,-2.42,;-2.56,-3.33,;-3.03,-4.79,;-4.57,-4.79,;-5.48,-6.04,;-7.01,-5.88,;-7.91,-7.13,;-9.45,-6.96,;-7.29,-8.53,;-5.76,-8.69,;-5.13,-10.1,;-6.03,-11.35,;-5.41,-12.75,;-7.57,-11.19,;-8.19,-9.78,;-5.05,-3.33,;-1.13,2.2,;.2,1.43,;-1.13,3.74,;.2,4.51,;1.53,3.74,;2.87,4.51,;4.2,3.74,;4.2,2.2,;5.53,1.43,;6.87,2.2,;8.2,1.43,;6.87,3.74,;5.53,4.51,;.2,6.05,;1.53,6.82,;1.53,8.36,;2.87,9.13,;4.2,8.36,;4.2,6.82,;2.87,6.05,;5.53,9.13,;6.87,9.9,)|
  • BAY-850 是一种具有选择性和有效的三磷酸腺苷酶家族蛋白 2 (ATAD2) 抑制剂,(IC50 : 166 nM) ,在体外和体内模型中抑制卵巢癌的生长和转移。
市场产品/服务共显示1个结果
  • 供应商
    TargetMolSC
    规格
    货期
    1-3天
    纯度
    98.00%
    ¥ 1,160.00
    1

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