Name: BMS-986251
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214323521
Cas No:2460133-35-9
常用名:BMS-986251
IUPAC:(1R,3S,4R)-4-[(3aR,9bR)-9b-(4-fluorobenzenesulfonyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H,2H,3H,3aH,4H,5H,9bH-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid
IUPAC:(1R,3S,4R)-4-[(3aR,9bR)-9b-(4-fluorobenzenesulfonyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H,2H,3H,3aH,4H,5H,9bH-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid
InChI key:JQORWGARJVSRBA-QOTTZFGFSA-N

分子式:C30H29F8NO5S
分子量:667.61
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F
SMILES:[H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F

BMS-986251 is a potent and specific RORγt inverse agonist that exerts its action via oral administration. It shows an EC 50 of 12 nM for RORγt GAL4. In human whole blood assay, BMS-986251 effectively inhibits IL-17 with an EC 50 of 24 nM. Furthermore, BMS-986251 exhibits strong therapeutic effects in mouse acanthosis and Imiquimod-induced models, which are commonly used preclinical models for psoriasis.

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