Description

Deoxycholic-2,2,4,4-D4 Acid CAS NO 112076-61-6 is a high-purity, isotopically labeled derivative of deoxycholic acid, a primary bile acid. This deuterated compound is essential as an internal standard in quantitative mass spectrometry, enabling precise and accurate analysis in complex biological matrices. It is primarily utilized by research scientists and quality control laboratories in the pharmaceutical, biotechnology, and clinical diagnostics sectors for advanced metabolic studies and bioanalytical method development.

Application

• Quantitative Bioanalysis: Serves as a critical internal standard for the LC-MS/MS quantification of endogenous deoxycholic acid and related bile acids in plasma, serum, and tissue samples.
• Metabolomics & Biomarker Research: Enables precise tracking and measurement of bile acid metabolism and flux in studies of liver function, gut microbiome interactions, and metabolic diseases.
• Drug Metabolism and Pharmacokinetics (DMPK): Used in ADME studies to investigate the interplay between drug candidates and bile acid pathways, assessing potential for drug-induced liver injury.
• Clinical Diagnostics Development: Facilitates the development and validation of robust clinical assays for diagnosing cholestatic liver disorders, such as primary biliary cholangitis.
• Stable Isotope Tracer Studies: Acts as a tracer in dynamic metabolic flux analysis to elucidate detailed pathways of bile acid synthesis and enterohepatic circulation.
• Pharmaceutical Quality Control: Employed in the purity and potency assessment of bile acid-based active pharmaceutical ingredients (APIs).

Basic Information

Product Name	Deoxycholic-2,2,4,4-D4 Acid
CAS No.	112076-61-6
Molecular Formula	C24H36D4O4
Molecular Weight	396.59 g/mol
Synonyms	Deuterated Deoxycholic Acid; (3α,5β,12α)-3,12-Dihydroxycholan-24-oic-2,2,4,4-d4 Acid; 2,2,4,4-D4-Deoxycholic Acid; D4-Deoxycholic Acid; 3α,12α-Dihydroxy-5β-cholan-24-oic-2,2,4,4-d4 Acid; Desoxycholic-2,2,4,4-d4 Acid; Cholerebic-2,2,4,4-d4 Acid
EINECS	Contact for details

Quality Control

Our Deoxycholic-2,2,4,4-D4 Acid is manufactured under strict quality systems to ensure the high isotopic and chemical purity required for sensitive analytical applications. Each batch is characterized by advanced spectroscopic and chromatographic techniques, including NMR, HPLC, and MS, to confirm identity, isotopic enrichment (typically ≥98 atom % D), and chemical purity (typically ≥95%). A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store at -20°C or below for long-term stability. For short-term use, the material may be stored at 2-8°C. Allow the sealed vial to equilibrate to room temperature before opening to minimize moisture condensation. The product is stable under these conditions when handled appropriately.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 95%
Isotopic Purity (NMR/MS)	≥ 98 atom % D
Chemical Purity (Titration)	≥ 95%
Solubility	Soluble in ethanol, methanol; sparingly soluble in water

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.