CAS 63296-46-8|Ursodeoxycholic acid-13C
Introduction：Basic information about CAS 63296-46-8|Ursodeoxycholic acid-13C, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Ursodeoxycholic acid-13C | ||
|---|---|---|---|
| CAS Number | 63296-46-8 | Molecular Weight | 393.56 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | / |
| Molecular Formula | C2313CH40O4 | Melting Point | / |
| MSDS | / | Flash Point | / |
Names
| Name | (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
|---|---|
| Synonym | More Synonyms |
Ursodeoxycholic acid-13C BiologicalActivity
| Description | Ursodeoxycholic acid-13C is the 13C labeled Ursodeoxycholic acid. Ursodeoxycholic acid (Ursodeoxycholate) is a secondary bile acid issued from the transformation of (cheno)deoxycholic acid by intestinal bacteria, acting as a key regulator of the intestinal barrier integrity and essential for lipid metabolism. Ursodeoxycholic acid acts as signaling molecule, exerting its effects by interacting with bile acid activated receptors, including G-protein coupled bile acid receptor 5 (TGR5, GPCR19) and the farnesoid X receptor (FXR). Ursodeoxycholic acid can be used for the research of a variety of hepatic and gastrointestinal diseases. Orally active[1][2]. |
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| Related Catalog | Signaling Pathways >>Metabolic Enzyme/Protease >>FXRSignaling Pathways >>GPCR/G Protein >>GPCR19 |
| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [2]. Jackson H, et al. Influence of ursodeoxycholic acid on the mortality and malignancy associated with primary biliary cirrhosis: a population-based cohort study. Hepatology. 2007 Oct;46(4):1131-7. [3]. Kumar D, et al. Use of ursodeoxycholic acid in liver diseases. J Gastroenterol Hepatol. 2001 Jan;16(1):3-14. [4]. Biao Nie, et al. Specific Bile Acids Inhibit Hepatic Fatty Acid Uptake in Mice. Hepatology. 2012 Oct;56(4):1300-10. |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Molecular Formula | C2313CH40O4 |
| Molecular Weight | 393.56 |
| Exact Mass | 393.296021 |
| PSA | 77.76000 |
| LogP | 4.47790 |
| Index of Refraction | 1.543 |
| InChIKey | RUDATBOHQWOJDD-GXWWAZPGSA-N |
| SMILES | CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C |
Synonyms
| Cholan-24-oic-24-C acid, 3,7-dihydroxy-, (3α,5β,7β)- |
| <24-13C>-Chenodeoxycholsaeure |
| (3α,5β,7β)-3,7-Dihydroxy(24-C)cholan-24-oic acid |
