Name: CAY10682
Rating: 5 (10 reviews)

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HIT ID:HIT212742443
Cas No:1542066-74-9
常用名:CAY10682
IUPAC:4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-5-[3-(1H-imidazol-1-yl)propyl]-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
IUPAC:4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-5-[3-(1H-imidazol-1-yl)propyl]-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
InChI key:WBTRUQGSTZSFSK-UHFFFAOYSA-N

分子式:C30H25BrFN5O
分子量:570.466
氢键供体数 (HBD):0
氢键受体数 (HBA):3
LogP:5.790457
SMILES:Fc1ccc(Cn2nc(c3C(N(CCCn4ccnc4)C(=O)c23)c2ccc(Br)cc2)-c2ccccc2)cc1
SMILES:Fc1ccc(Cn2nc(c3C(N(CCCn4ccnc4)C(=O)c23)c2ccc(Br)cc2)-c2ccccc2)cc1

(±)-Nutlin-3 blocks the interaction of p53 with its negative regulator Mdm2 (IC50 = 90 nM), inducing the expression of p53-regulated genes and blocking the growth of tumor xenografts in vivo. CAY10682 is a pyrrolo[3,4c]pyrazole derivative that inhibits the p53-Mdm2 interaction as potently as (±)-nutlin-3 (Ki = 83 nM) and also dose-dependently reduces activation of the NF-κB pathway. It specifically prevents phosphorylation of IκBα by the kinases IKKα, IKKβ, and IKK (IC50s = 80.5, 78.2, and 57.1 μM, respectively). CAY10682 blocks the growth of cancer cells in vitro (IC50s = 2-6 μM) and inhibits the growth of A549 cell xenografts in mice without significantly reducing body weight.

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