BAR501 Impurity

BAR501 impurity is an impurity found in the preparation of BAR501 (Cay-22460) that acts as an agonist of the G protein-coupled bile acid-activated receptor (GP-BAR1). BAR501 impurity (10 µM) induces a 150% increase in luciferase activity in a GP-BAR1 reporter gene assay.Formal Name: (3alpha,5beta,6beta,7alpha)-6-ethyl-cholane-3,7,24-triol. CAS Number: 1632118-70-7. Molecular Formula: C26H46O3. Formula Weight: 406.6. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 20 mg/mL, DMSO: 100µg/ml, Ethanol: 2 mg/mL, Ethanol:PBS (pH 7.2)(1:2): 500µg/ml. SMILES: C[C@H](CCCO)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)[C@@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C. InChi Code: InChI=1S/C26H46O3/c1-5-18-22-15-17(28)10-12-26(22,4)21-11-13-25(3)19(16(2)7-6-14-27)8-9-20(25)23(21)24(18)29/h16-24,27-29H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,22+,23+,24-,25-,26-/m1/s1. InChi Key: DQBAHTQWQZRMFH-GRVUFFLBSA-N.