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HIT218848790
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HIT218848790
  • HIT ID:HIT218848790
  • Cas No:2703021-51-4
  • 常用名:PROTAC AR Degrader-5
  • IUPAC:(2S,4R)-1-[(2S)-2-(2-{4-[4-(5-{3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl}pyridin-2-yl)phenoxy]butoxy}acetamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
    IUPAC:(2S,4R)-1-[(2S)-2-(2-{4-[4-(5-{3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl}pyridin-2-yl)phenoxy]butoxy}acetamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
  • InChI key:HEIBMKWAJBMSPY-VTYXGMTLSA-N
  • 分子式:C52H54F4N8O7S2
  • 分子量:1043.17
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCOc2ccc(cc2)-c2ccc(cn2)N2C(=S)N(C(=O)C2(C)C)c2ccc(C#N)c(c2F)C(F)(F)F)C(C)(C)C)cc1
    SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCOc2ccc(cc2)-c2ccc(cn2)N2C(=S)N(C(=O)C2(C)C)c2ccc(C#N)c(c2F)C(F)(F)F)C(C)(C)C)cc1
  • PROTACAR Degrader-5(compound A46)是一种有效的AR PROTAC降解剂,其IC50值为49 nM。该化合物抑制皮脂斑并诱导毛发再生。
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