Name: (4R,5S)-nutlin carboxylic acid
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212667666
Cas No:2306390-08-7
常用名:(4R,5S)-nutlin carboxylic acid
别名:MDM2 ligand 2, E3 ligase Ligand 15
IUPAC: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}acetic acid
IUPAC: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}acetic acid
InChI key:CYFZSMNCDNFMOG-IHLOFXLRSA-N

分子式:C32H32Cl2N4O6
分子量:639.53
氢键供体数 (HBD):1
氢键受体数 (HBA):7
LogP:4.022354
SMILES:COc1ccc(C2=N[C@@H]([C@@H](N2C(=O)N2CCN(CC(O)=O)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)=O)C(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|

(4R,5S)-Nutlin Carboxylic Acid (MDM2 Ligand 2), a Nutlin 3-based MDM2 ligand, can be conjugated to a protein-binding ligand via a linker to create PROTACs[1].

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