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HIT218929613
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HIT218929613
  • HIT ID:HIT218929613
  • Cas No:2660324-41-2
  • 常用名:PROTAC SMARCA2 degrader-20
  • IUPAC:4-hydroxy-1-(2-{[6-(4-{2-[12-(2-hydroxyphenyl)-3-methyl-4,8,10,11-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),9,11-tetraen-4-yl]pyrimidin-5-yl}piperidin-1-yl)spiro[3.3]heptan-2-yl]formamido}-3,3-dimethylbutanoyl)-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
    IUPAC:4-hydroxy-1-(2-{[6-(4-{2-[12-(2-hydroxyphenyl)-3-methyl-4,8,10,11-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),9,11-tetraen-4-yl]pyrimidin-5-yl}piperidin-1-yl)spiro[3.3]heptan-2-yl]formamido}-3,3-dimethylbutanoyl)-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
  • InChI key:CGJXEJBACYTMID-UHFFFAOYSA-N
  • 分子式:C55H65N11O5S
  • 分子量:992.26
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC1N(CCc2[nH]c3nnc(cc3c12)-c1ccccc1O)c1ncc(cn1)C1CCN(CC1)C1CC2(C1)CC(C2)C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
    SMILES:CC1N(CCc2[nH]c3nnc(cc3c12)-c1ccccc1O)c1ncc(cn1)C1CCN(CC1)C1CC2(C1)CC(C2)C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
  • PROTAC SMARCA2 degrader-20 (Compound I-40) 作为一种降解剂,针对SMARCA2蛋白表现出显著的潜在应用,尤其是在癌症研究领域。
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