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HIT219619107
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HIT219619107
  • HIT ID:HIT219619107
  • Cas No:3070438-85-3
  • 常用名:PROTAC PI3K/110β degrader-1
  • IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-{3-[2-(2-{[2-({1-[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl}amino)phenyl]formamido}ethoxy)ethoxy]propanamido}butanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
    IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-{3-[2-(2-{[2-({1-[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl}amino)phenyl]formamido}ethoxy)ethoxy]propanamido}butanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
  • InChI key:InChIKey=XVJVWHTWJAJTPV-VHFFQKAFSA-N
  • 分子式:C51H65N9O9S
  • 分子量:980.2
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(Nc1ccccc1C(=O)NCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
    SMILES:CC(Nc1ccccc1C(=O)NCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
  • PROTACPI3K/110β degrader-1 (J-9) 是一种用于PI3K/110β的PROTAC降解剂。
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