Name: CAY10747
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214321019
Cas No:2413849-81-5
常用名:CAY10747
IUPAC:3-[(Z)-(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carbonyloxy]propyl (2Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate
IUPAC:3-[(Z)-(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carbonyloxy]propyl (2Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate
InChI key:PNQKCDFOTMDGCU-PYZHFFOYSA-N

分子式:C42H48FNO6
分子量:681.845
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCCCOC(=O)\C=C(/C#N)c1ccc(F)cc1 |c:24,t:14,16,19|
SMILES:[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCCCOC(=O)\C=C(/C#N)c1ccc(F)cc1 |c:24,t:14,16,19|

CAY10747 is an inhibitor of the protein-protein interaction between heat shock protein 90 (Hsp90) and cell division cycle 37 (Cdc37) and a derivative of celastrol .1It decreases protein levels of the Hsp90-Cdc37 complex and the Hsp90-Cdc37 clients phosphorylated Akt and Cdk4 in A549 cells when used at a concentration of 5 μM. CAY10747 inhibits proliferation of A549, MCF-7, HOS, and HepG2 cells (IC50s = 0.41, 0.64, 0.9, and 0.94 μM, respectively) and induces apoptosis in A549 cells.

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