Cyclohexanecarboxylic acid, 4-[[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-7-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-3H-benz[e]indol-3-yl]carbonyl]-3-methyl-, (1R,3S,4R)-

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Cyclohexanecarboxylic acid, 4-[[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-7-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-3H-benz[e]indol-3-yl]carbonyl]-3-methyl-, (1R,3S,4R)- Basic information
Product Name:Cyclohexanecarboxylic acid, 4-[[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-7-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-3H-benz[e]indol-3-yl]carbonyl]-3-methyl-, (1R,3S,4R)-
Synonyms:Cyclohexanecarboxylic acid, 4-[[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-7-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-3H-benz[e]indol-3-yl]carbonyl]-3-methyl-, (1R,3S,4R)-;BMS-986251
CAS:2460133-35-9
MF:C30H29F8NO5S
MW:667.61
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Mol File:2460133-35-9.mol
Cyclohexanecarboxylic acid, 4-[[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-7-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-3H-benz[e]indol-3-yl]carbonyl]-3-methyl-, (1R,3S,4R)- Structure
Cyclohexanecarboxylic acid, 4-[[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-7-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-3H-benz[e]indol-3-yl]carbonyl]-3-methyl-, (1R,3S,4R)- Chemical Properties
Boiling point 691.5±55.0 °C(Predicted)
density 1.444±0.06 g/cm3(Predicted)
pka4.81±0.16(Predicted)
Safety Information
MSDS Information
Cyclohexanecarboxylic acid, 4-[[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-7-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-3H-benz[e]indol-3-yl]carbonyl]-3-methyl-, (1R,3S,4R)- Usage And Synthesis
UsesBMS-986251 is an orally active and selective RORγt inverse agonist with an EC50 of 12 nM for RORγt GAL4. BMS-986251 inhibits IL-17 with an EC50 of 24 nM in human whole blood assay. BMS-986251 demonstrates robust efficacy in mouse acanthosis and Imiquimod-induced (HY-B0180) models (preclinical models of psoriasis)[1].
in vivo

BMS-986251 (5-45 mg/kg; orally; twice daily until day 9) results in reduced ear thickness[1].
BMS-986251 (0.13, 0.79, 4.76 mg/kg; orally; once a day) displays a dose-dependent reduction of the IL-17F produced in nave C57BL/6 female mice (7-9 weeks)[1].
BMS-986251 (2 mg/kg of IV and 4 mg/kg of PO) has a T1/2 of 7.7 hours, a CL of 2.7 mL/minkg, and a Vss of 1.9 L/kg for IV in mouse[1].

Animal Model:C57BL/6 female mice with acanthosis[1]
Dosage:5, 15, 45 mg/kg
Administration:Orally; twice daily until day 9
Result:Resulted in reduced ear thickness and significantly reduces imiquimod (IMQ)-induced skin thickening.
Animal Model:Mouse or rat[1]
Dosage:2 mg/kg of IV and 4 mg/kg of PO (Pharmacokinetic Analysis)
Administration:IV or PO
Result:Had a T1/2 of 7.7 hours, a CL of 2.7 mL/minkg, and a Vss of 1.9 L/kg for IV in mouse.
Had a Cmax of 4.8 μM and an AUC of 37 μMh for PO in mouse.
Had a T1/2 of 11 hours, a CL of 1.3 mL/minkg, and a Vss of 1.25 L/kg for IV in rat.
Had a Cmax of 4.7 μM and an AUC of 64 μMh for PO in rat.
IC 50RORγt: 12 nM (EC50); IL-17: 24 nM (EC50); RORα: >10 μM (EC50); RORβ: >10 μM (EC50)
References[1] Robert J. Cherney, et al. Discovery of BMS-986251: A Clinically Viable, Potent, and Selective RORγt Inverse Agonist. ACS Med. Chem. Lett. 2020, 11, 6, 1221–1227 DOI:10.1021/acsmedchemlett.0c00063
Cyclohexanecarboxylic acid, 4-[[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-7-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-3H-benz[e]indol-3-yl]carbonyl]-3-methyl-, (1R,3S,4R)- Preparation Products And Raw materials
Tag:Cyclohexanecarboxylic acid, 4-[[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-7-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-3H-benz[e]indol-3-yl]carbonyl]-3-methyl-, (1R,3S,4R)-(2460133-35-9) Related Product Information
Cyclohexanecarboxylic acid, 4-[[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-7-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-3H-benz[e]indol-3-yl]carbonyl]-3-methyl-, (3S,4R)- Propanamide, N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-2,3,3a,4,5,9b-hexahydro-7-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1H-benz[e]inden-3-yl]-2-hydroxy-2-methyl- RORγt Inverse agonist 2 Cyclohexanecarboxylic acid, 4-[[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-7-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-3H-benz[e]indol-3-yl]carbonyl]-3-methyl-, (1R,3S,4R)- IL-2 PROTEIN, MOUSE IL-3 Protein, HUMAN (HIS)