12-keto Chenodeoxycholic Acid

12-keto Chenodeoxycholic acid (12-keto CDCA) is an intermediate in the semisynthetic synthesis of ursodeoxycholic acid (Cay-31016, Cay-15121) and chenodeoxycholic acid (Cay-10011286, Cay-35346) from the primary bile acid cholic acid (Cay-20250). 12-keto CDCA has been found in the gastric tissues of C57BL/6J mice, KM mice, Sprague-Dawley rats, New Zealand white rabbits, and JX black pigs. Fecal levels of 12-keto CDCA are increased in children with hepatic glycogen storage disease. The sodium salt of 12-keto CDCA, known as 12-monoketocholic acid (12-MKA), increases brain uptake of quinine (Cay-23958), the analgesic effect of morphine in the hot plate test, and pentobarbital-induced sleeping time in rats when administered at a dose of 2 mg/kg. It also promotes nasal absorption of insulin and increases the duration of local anesthesia induced by lidocaine in rats.,Formal Name: (3alpha,5beta,7alpha)-3,7-dihydroxy-12-oxo-cholan-24-oic acid. CAS Number: 2458-08-4. Synonyms: 12-keto CDCA, 12-oxo CDCA, 12-oxo Chenodeoxycholic Acid, 3alpha,7alpha-Dihydroxy-12-keto-5beta-cholanic acid. Molecular Formula: C24H38O5. Formula Weight: 406.6. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: Chloroform: Slightly Soluble, Methanol: Slightly Soluble. SMILES: [H][C@@]12CC[C@@]([C@@H](CCC(O)=O)C)([H])[C@]1(C(C[C@]3([C@]2([C@@H](C[C@]4([C@@]3(CC[C@H](C4)O)C)[H])O)[H])[H])=O)C. InChi Code: InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,22+,23+,24-/m1/s1. InChi Key: MIHNUBCEFJLAGN-DMMBONCOSA-N.