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HIT214323510
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HIT214323510
  • HIT ID:HIT214323510
  • Cas No:2447066-14-8
  • 常用名:BMS-1166-N-piperidine-CO-N-piperazine
    常用名:BMS-1166-N-piperidine-CO-N-piperazine
  • IUPAC:3-[(4-chloro-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy}-2-{[2-(piperazine-1-carbonyl)piperidin-1-yl]methyl}phenoxy)methyl]benzonitrile
    IUPAC:3-[(4-chloro-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy}-2-{[2-(piperazine-1-carbonyl)piperidin-1-yl]methyl}phenoxy)methyl]benzonitrile
  • InChI key:IYPYUVUFRCLTFR-UHFFFAOYSA-N
  • 分子式:C41H43ClN4O5
  • 分子量:707.27
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCCC3C(=O)N3CCNCC3)cc2Cl)cccc1-c1ccc2OCCOc2c1
    SMILES:Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCCC3C(=O)N3CCNCC3)cc2Cl)cccc1-c1ccc2OCCOc2c1
  • BMS-1166-N-piperidine-CO-N-piperazine is a chemical compound that contains a PD-1/PD-L1 immune checkpoint ligand and a PROTAC linker. It can be utilized in the synthesis of PROTAC PD-1/PD-L1 degrader-1, which effectively inhibits the PD-1/PD-L1 interaction, demonstrating an IC50 value of 39.2 nM.
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