CAY10406 | CAS 2108603-03-6 | AnyMole

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HIT212972304

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HIT212972304

HIT ID:HIT212972304
Cas No:2108603-03-6
常用名:CAY10406
IUPAC:1-benzyl-5-{[(2S)-2-{[4-(trifluoromethyl)phenoxy]methyl}pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
IUPAC:1-benzyl-5-{[(2S)-2-{[4-(trifluoromethyl)phenoxy]methyl}pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
InChI key:SNBVQFYPQBMLQY-FQEVSTJZSA-N

分子式:C27H23F3N2O5S
分子量:544.55
氢键供体数 (HBD):0
氢键受体数 (HBA):5
LogP:4.5809283
SMILES:FC(F)(F)c1ccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N(Cc4ccccc4)C(=O)C(=O)c3c2)cc1
SMILES:FC(F)(F)c1ccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N(Cc4ccccc4)C(=O)C(=O)c3c2)cc1

CAY10406 is a trifluoromethyl analog of an isatin sulfonamide compound that selectively inhibits caspases 3 and 7. The non-trifluoromethyl compound exhibits Ki values of 1.2 nM and 6 nM for caspases 3 and 7, respectively. For all of the other caspases tested, it is 100 to 1,000 times less potent. Caspases 3 and 7 are 'effector caspases' that are downstream from the initiating steps of apoptosis, and are implicated in the main proteolytic processing of the apoptotic signal. No data is currently available for caspase inhibition by CAY10406.

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