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HIT212666599
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HIT212666599
  • HIT ID:HIT212666599
  • Cas No:2408641-24-5
  • 常用名:PROTAC CDK2/9 Degrader-1
  • IUPAC:N-{4-[(4-{3-[(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}ethyl)carbamoyl]propanoyl}piperazin-1-yl)methyl]phenyl}-4-({7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-1H-pyrazole-3-carboxamide
    IUPAC:N-{4-[(4-{3-[(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}ethyl)carbamoyl]propanoyl}piperazin-1-yl)methyl]phenyl}-4-({7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-1H-pyrazole-3-carboxamide
  • InChI key:BRYMZSSAIDEFEM-UHFFFAOYSA-N
  • 分子式:C40H41N13O7
  • 分子量:815.852
  • 氢键供体数 (HBD):7
  • 氢键受体数 (HBA):13
  • LogP:1.8562293
  • SMILES:O=C(CCC(=O)N1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4[nH]ccc34)cc2)CC1)NCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
    SMILES:O=C(CCC(=O)N1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4[nH]ccc34)cc2)CC1)NCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
  • PROTAC CDK2/9 Degrader-1 is a potent CDK2 and CDK9 dual degrader(DC50 of 62 nM and 33 nM).
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