80434-32-8
Chemical Structure
1β-Hydroxydeoxycholic acid
Synonym(s): 1β-OH-DCA
- CAS No.: 80434-32-8
- Formula:C24H40O5
- Molecular Weight:408.57
IUPAC Name: (R)-4-((1R,3S,5R,8S,9S,10S,12S,13R,14S,17R)-1,3,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
InChIKey: DAKYVYUAVGJDRK-FPUZENINSA-N
SMILES: C[C@@]12[C@]3([H])[C@](CC[C@]1([H])C[C@@H](C[C@H]2O)O)([H])[C@@]4([H])[C@]([C@H](C3)O)([C@@](CC4)([H])[C@H](C)CCC(O)=O)C
Biological Activity: 1β-Hydroxydeoxycholic acid (1β-OH-DCA) is an endogenous bile acid metabolite formed from deoxycholic acid via CYP3A-mediated 1β-hydroxylation. 1β-Hydroxydeoxycholic acid undergoes rapid metabolism in human hepatocytes, primarily through glycine conjugation to form G-1β-OH-DCA, with minor taurine conjugation and sulfation. The urinary ratio of 1β-Hydroxydeoxycholic acid to deoxycholic acid can be used as an endogenous biomarker for assessing CYP3A activity. 1β-Hydroxydeoxycholic acid can be used in metabolism-related research[1][2][3].
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1β-Hydroxydeoxycholic acid | 95.0% | 1β-Hydroxydeoxycholic acid (1β-OH-DCA) is an endogenous bile acid metabolite formed from deoxycholic acid via CYP3A-mediated 1β-hydroxylation. 1β-Hydroxydeoxycholic acid undergoes rapid metabolism in human hepatocytes, primarily through glycine conjugation to form G-1β-OH-DCA, with minor taurine conjugation and sulfation. The urinary ratio of 1β-Hydroxydeoxycholic acid to deoxycholic acid can be used as an endogenous biomarker for assessing CYP3A activity. 1β-Hydroxydeoxycholic acid can be used in metabolism-related research. | ||||||||||||||||||||
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1β-Hydroxydeoxycholic acid-d5 | 1β-Hydroxydeoxycholic acid-d5 (1β-OH-DCA-d5) is the deuterated-labeled 1β-Hydroxydeoxycholic acid (HY-113482). 1β-Hydroxydeoxycholic acid (1β-OH-DCA) is an endogenous bile acid metabolite formed from deoxycholic acid via CYP3A-mediated 1β-hydroxylation. 1β-Hydroxydeoxycholic acid undergoes rapid metabolism in human hepatocytes, primarily through glycine conjugation to form G-1β-OH-DCA, with minor taurine conjugation and sulfation. The urinary ratio of 1β-Hydroxydeoxycholic acid to deoxycholic acid can be used as an endogenous biomarker for assessing CYP3A activity. 1β-Hydroxydeoxycholic acid can be used in metabolism-related research. | |||||||||||||||||||||
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References
- [1]. Hayes MA, et al. CYP3A Specifically Catalyzes 1β-Hydroxylation of Deoxycholic Acid: Characterization and Enzymatic Synthesis of a Potential Novel Urinary Biomarker for CYP3A Activity. Drug metabolism and disposition: the biological fate of chemicals. 2016 Sep;44(9):1480-9.
- [2]. Ma Y, et al. Precision medication based on the evaluation of drug metabolizing enzyme and transporter functions. Precision clinical medicine. 2025 Mar;8(1):pbaf004.
- [3]. Tremmel R, et al. Circulating biomarkers instead of genotyping to establish metabolizer phenotypes. Annual Review of Pharmacology and Toxicology. 2024 Jan 23;64(1):65-87.
