• Product Code: C098018

• English Name: 3-Oxo Deoxycholic Acid

• English Alias: (R)-4-((5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

• CAS Number: 2304-89-4

• Molecular Formula: C24H38O5

• Molecular Weight: 406.56

• Steroid Drug Impurity Detection: Used for HPLC/LC-MS detection of 3-Oxo Deoxycholic Acid in API and formulations of deoxycholic acid, ursodeoxycholic acid, etc., controlling impurity content ≤0.2% (refer to ICH Q3A).

• Synthesis Process Optimization: In the production of cholic acid drugs, monitor the generation of this impurity during the oxidation stage (e.g., generation increases 2-fold at temperatures >60°C), and reduce its content to below 0.1% by adjusting oxidant dosage (e.g., controlling H2O2 molar ratio 1:1.5).

• Stability-Indicating Studies: As a degradation product standard in acid/alkali stress tests, it validates method specificity and evaluates drug degradation pathways in pH 1.2/6.8 buffers.

• Biological Sample Analysis: As an internal standard for LC-MS/MS detection of cholic acid metabolites in serum, with a LOQ of 0.5 ng/mL, supporting pharmacokinetic research.

• Detection Technology: UPLC-MS/MS is used with a C18 column (1.7μm, 2.1×100mm) and 0.1% formic acid water-acetonitrile gradient elution, completing separation within 1.8 minutes with a detection limit of 0.01 ng/mL, 5 times more efficient than traditional HPLC.

• Formation Mechanism: Mainly originates from the oxidation of 3-hydroxy group of deoxycholic acid under acidic conditions (pH <3) or incomplete hydrolysis of intermediate 3-acetoxy compounds. Selective reduction with NaBH4 converts the 3-keto group to hydroxyl, reducing impurity content from 0.8% to 0.05%.

• Safety Evaluation: In vitro experiments show the impurity has an IC50 of 25μM on HepG2 cells, with long-term exposure potentially inducing endoplasmic reticulum stress. EMA requires its permissible daily exposure (PDE) ≤1.5μg, leading to a regulatory limit of ≤0.15% in drug standards (calculated based on a 10mg daily dose).

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NOTE！

We can also customize related analogues and modified peptides including HPLC, MS, 1H-NMR, MS, HPLC, IR, UV, COA, MSDS.
This product is intended for laboratory use only!

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