133429-88-6
Chemical Structure
Glycoursodeoxycholic acid 3-sulfate
- CAS No.: 133429-88-6
- Formula:C26H43NO8S
- Molecular Weight:529.69
IUPAC Name: ((R)-4-((3R,5R,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycine
InChIKey: DKXXSIJHWWVNMO-XROMFQGDSA-N
SMILES: O[C@@H]1[C@]2([H])[C@@](CC[C@]3([C@@]2([H])CC[C@]3([H])[C@H](C)CCC(NCC(O)=O)=O)C)([H])[C@@]4([C@](C[C@@H](CC4)OS(=O)(O)=O)([H])C1)C
Biological Activity: Glycoursodeoxycholic acid 3-sulfate is a glycine-conjugated sulfated bile acid 3-sulfate, which is produced by SULT2A1-mediated sulfation of glycoursodeoxycholic acid (HY-N1424) in the liver. Glycoursodeoxycholic acid 3-sulfate attenuates the anti-inflammatory effect of glycoursodeoxycholic acid and impairs the inhibitory effect on the IL-17 and NF-κB signaling pathways. Glycoursodeoxycholic acid 3-sulfate shows a significant correlation with aortic flow velocity and BNP in patients with aortic stenosis. Glycoursodeoxycholic acid 3-sulfate is mainly used in related studies such as quantitative analysis, quality control and biochemical experiments; it often serves as a reagent for metabolomics analysis and can also be applied to research related to aortic stenosis[1][2].
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Glycoursodeoxycholic acid 3-sulfate | Glycoursodeoxycholic acid 3-sulfate is a glycine-conjugated sulfated bile acid 3-sulfate, which is produced by SULT2A1-mediated sulfation of glycoursodeoxycholic acid (HY-N1424) in the liver. Glycoursodeoxycholic acid 3-sulfate attenuates the anti-inflammatory effect of glycoursodeoxycholic acid and impairs the inhibitory effect on the IL-17 and NF-κB signaling pathways. Glycoursodeoxycholic acid 3-sulfate shows a significant correlation with aortic flow velocity and BNP in patients with aortic stenosis. Glycoursodeoxycholic acid 3-sulfate is mainly used in related studies such as quantitative analysis, quality control and biochemical experiments; it often serves as a reagent for metabolomics analysis and can also be applied to research related to aortic stenosis. | |||||||||||||||||||||
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References
- [1]. Goto T, et al. LC/ESI-tandem mass spectrometric determination of bile acid 3-sulfates in human urine 3beta-Sulfooxy-12alpha-hydroxy-5beta-cholanoic acid is an abundant nonamidated sulfate. J Chromatogr B Analyt Technol Biomed Life Sci. 2007;846(1-2):69-77. [Content Brief]
- [2]. Zhu M, et al. Glycoursodeoxycholic acid 3 sulfate sodium links hemodynamics and bile acid metabolism in aortic stenosis. J Adv Res. Published online September 9, 2025. [Content Brief]
