59274-69-0
Chemical Structure
Cholic acid 3-O-glucuronide disodium
Synonym(s): OCA-3-glucuronide disodium
- CAS No.: 59274-69-0
- Formula:C30H46Na2O11
- Molecular Weight:628.66
IUPAC Name: (2S,3S,4S,5R,6R)-6-(((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-4-carboxybutan-2-yl)-7,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid, sodium salt
InChIKey: SFWUUPAJCZGPNO-DPDYRLIWSA-N
SMILES: O[C@H]1[C@@]2([H])[C@@]3([H])[C@@]([C@@](CC3)([H])[C@H](C)CCC(O[Na])=O)([C@H](C[C@]2([H])[C@@]4([C@](C[C@@H](CC4)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O[Na])=O)([H])C1)C)O)C
Biological Activity: Cholic acid 3-O-glucuronide (OCA-3-glucuronide) disodium is a farnesoid X receptor (FXR) agonist with an EC50 value of 91.5 μM. Cholic acid 3-O-glucuronide is promising for research of bile acid metabolism and detoxification[1][2].
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Cholic acid 3-O-glucuronide disodium | Cholic acid 3-O-glucuronide (OCA-3-glucuronide) disodium is a farnesoid X receptor (FXR) agonist with an EC50 value of 91.5 μM. Cholic acid 3-O-glucuronide is promising for research of bile acid metabolism and detoxification. | |||||||||||||||||||||
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- [1]. Mostarda S, et al. Synthesis, physicochemical properties, and biological activity of bile acids 3-glucuronides: Novel insights into bile acid signalling and detoxification. Eur J Med Chem. 2018 Jan 20;144:349-358. [Content Brief]
- [2]. Mach S, et al. Metabolism of obeticholic acid in brown bullhead (Ameiurus nebulosus). Environ Sci Pollut Res Int. 2019 Jul;26(20):20316-20324. [Content Brief]
Keywords
