12-Hydroxy Taurolithocholic Acid-2,2,3,4,4-d5 O-3-Glucuronide Dipotassium Salt

• CAT Number: R034784
• CAS Number: NA
• Molecular Formula: C₃₂H₄₆D₅NO₁₂S.2K
• Molecular Weight: 757.04
• Purity: ≥95%
• Synonyms: (3α,5β,12α)-12-Hydroxy-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl β-D-Glucopyranosiduronic Acid Dipotassium Salt-d5; Cholane β-D-Glucopyranosiduronic Acid Deriv.-d5
• Storage: -20°C
• IUPAC Name: dipotassium;(2R,3R,4R,5S)-3,4,5-trihydroxy-6-[[(3R,5R,10S,12S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-12-hydroxy-10,13-dimethyl-17-[(2R)-5-oxo-5-(2-sulfonatoethylamino)pentan-2-yl]-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylate
• InChI: InChI=1S/C32H53NO12S.2K/c1-16(4-9-24(35)33-12-13-46(41,42)43)20-7-8-21-19-6-5-17-14-18(10-11-31(17,2)22(19)15-23(34)32(20,21)3)44-30-27(38)25(36)26(37)28(45-30)29(39)40;;/h16-23,25-28,30,34,36-38H,4-15H2,1-3H3,(H,33,35)(H,39,40)(H,41,42,43);;/q;2*+1/p-2/t16-,17-,18-,19?,20-,21+,22?,23+,25-,26-,27+,28-,30?,31+,32-;;/m1../s1/i10D2,14D2,18D
• InChIKey: MMOOHENTEBMFGJ-KVUWFISASA-L
• SMILES: [2H][C@]1(C(C[C@]2([C@@H](C1([2H])[2H])CCC3C2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)NCCS(=O)(=O)[O-])C)O)C)([2H])[2H])OC5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)[O-])O)O)O.[K+].[K+]

12-Hydroxy Taurolithocholic Acid-2,2,3,4,4-d5 O-3-Glucuronide Dipotassium Salt is a deuterated bile acid conjugate, crucial for research in hepatic function, bile acid metabolism, and drug interactions. This compound, labeled with five deuterium atoms, offers enhanced stability and precise analytical tracking in mass spectrometry studies. The glucuronide conjugation aids in examining detoxification pathways and the role of bile acids in liver diseases. As a dipotassium salt, it provides improved solubility and compatibility in various experimental setups. Researchers utilize this compound to gain deeper insights into bile acid physiology, potentially leading to advancements in therapeutic strategies for liver-related conditions.