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HIT212667692
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HIT212667692
  • HIT ID:HIT212667692
  • Cas No:
  • 常用名:Nutlin-C1-amido-PEG4-C2-N3
  • 别名:MDM2 Ligand-Linker Conjugates 1, E3 ligase Ligand-Linker Conjugates 48
    别名:MDM2 Ligand-Linker Conjugates 1, E3 ligase Ligand-Linker Conjugates 48
  • IUPAC:N-(14-azido-3,6,9,12-tetraoxatetradecan-1-yl)-2-{4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazole-1-carbonyl]-2-oxopiperazin-1-yl}acetamide
    IUPAC:N-(14-azido-3,6,9,12-tetraoxatetradecan-1-yl)-2-{4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazole-1-carbonyl]-2-oxopiperazin-1-yl}acetamide
  • InChI key:YLHONJUOEKAZKP-PVXQIPPMSA-N
  • 分子式:C42H52Cl2N8O9
  • 分子量:883.83
  • 氢键供体数 (HBD):1
  • 氢键受体数 (HBA):12
  • LogP:4.233325
  • SMILES:COc1ccc(C2=N[C@@H]([C@@H](N2C(=O)N2CCN(CC(=O)NCCOCCOCCOCCOCCN=[N+]=[N-])C(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
    SMILES:COc1ccc(C2=N[C@@H]([C@@H](N2C(=O)N2CCN(CC(=O)NCCOCCOCCOCCOCCN=[N+]=[N-])C(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
  • Nutlin-C1-amido-PEG4-C2-N3 is a novel compound that functions as a ligand-linker conjugate for the E3 ligase. It is a synthesized molecule incorporating the MDM2 ligand derived from Nutlin 3, and a 4-unit PEG linker. This compound is specifically designed for utilization in PROTAC technology.
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