12-keto Lithocholic Acid

12-keto Lithocholic acid is a metabolite of the secondary bile acid deoxycholic acid (DCA, Cay-20756, Cay-18231). Fecal levels of 12-keto lithocholic acid are elevated in rats fed a diet supplemented with cholic acid (Cay-20250) or DCA compared with rats fed a control diet or a diet supplemented with cholesterol (Cay-9003100), hyodeoxycholic acid (HDCA, Cay-20294), or lithocholic acid (LCA, Cay-20253). 12-keto Lithocholic acid activates the human pregnane X receptor (PXR, EC50 = 31.3 µM in a cell-based transactivation assay). 12-keto Lithocholic acid levels are increased in duodenal bile from patients with type 2 diabetes.Formal Name: (3alpha,5beta)-3-hydroxy-12-oxo-cholan-24-oic acid. CAS Number: 5130-29-0. Synonyms: 12-keto LCA, 12-keto Lithocholate, 12-KLCA, 12-oxo LCA, 12-oxo Lithocholate, 12-oxo Lithocholic Acid. Molecular Formula: C24H38O4. Formula Weight: 390.6. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMF: 30 mg/ml, DMSO: 30 mg/ml, Ethanol: 30 mg/ml, Ethanol:PBS (pH 7.2) (1:3): 0.25 mg/ml. SMILES: C[C@H](CCC(O)=O)[C@@]1([H])CC[C@@]([C@]21C)([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC2=O. InChi Code: InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,23+,24-/m1/s1. InChi Key: CVNYHSDFZXHMMJ-VPUMZWJWSA-N.