CAS 2044276-16-4 Glycolithocholic acid-[2,2,4,4-d4]

General Information
Catalog: BLP-001661
CAS: 2044276-16-4
Molecular Formula: C26H39D4NO4
Molecular Weight: 437.65

General Information

Catalog: BLP-001661

CAS: 2044276-16-4

Molecular Formula: C26H39D4NO4

Molecular Weight: 437.65

Chemical Structure

Description	Glycolithocholic acid-[2,2,4,4-d4] is the labelled analogue of Glycolithocholic acid. Glycolithocholic acid is a bile acid-glycine conjugate that can inhibits sialyltransferase.
Synonyms	Glycolithocholic acid-2,2,4,4-d4; Glycolithocholic-2,2,4,4-d4 Acid; N-(3α-Hydroxy-24-oxocholan-24-yl)glycine-d4; 3α-Hydroxy-5β-cholanoic Acid N-(Carboxymethyl)amide-d4
IUPAC Name	((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl-2,2,4,4-d4)pentanoyl)glycine
Related CAS	474-74-8 (unlabelled)
Canonical SMILES	CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
InChI	InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1/i10D2,14D2
InChI Key	XBSQTYHEGZTYJE-CPHZDNHJSA-N
Purity	≥ 98% (CP); 98% atom D
Solubility	Soluble in methanol (100 μg/mL)
Shelf Life	1 Year
Storage	-20°C

Glycolithocholic acid-[2,2,4,4-d4], a deuterium-labeled derivative of glycolithocholic acid, finds widespread applications in the realm of biomedicine and biochemistry. Here are the key applications of Glycolithocholic acid-[2,2,4,4-d4]:

Metabolic Research: In the intricate landscape of metabolic studies, Glycolithocholic acid-[2,2,4,4-d4] emerges as a pivotal tool for elucidating bile acid pathways and interactions. By leveraging this labeled compound, researchers can meticulously track the metabolic journey of glycolithocholic acid within living organisms. This investigative approach sheds light on bile acid metabolism, offering insights into its implications for conditions like cholestasis and liver disease.

Pharmacokinetic Studies: Within the realm of drug development, Glycolithocholic acid-[2,2,4,4-d4] plays a crucial role in unraveling the pharmacokinetics of bile acid derivatives. It empowers scientists to delve into the absorption, distribution, metabolism, and excretion (ADME) profiles of potential drug candidates.

Biomarker Discovery: Positioned at the forefront of biomarker exploration, Glycolithocholic acid-[2,2,4,4-d4] serves as a cornerstone for identifying and quantifying bile acid metabolites in biological specimens. Its stable isotope labeling serves as a beacon, enabling the discrimination between endogenous compounds and artificial standards. This methodological approach is indispensable for unearthing biomarkers associated with liver function, gastrointestinal well-being, and systemic afflictions.

Environmental Toxicology: Delving into the realm of environmental toxicology, Glycolithocholic acid-[2,2,4,4-d4] emerges as a potent tool for examining the ecological impact of bile acids and their derivatives on ecosystems. By monitoring this compound, researchers can delve into the environmental dispersion and potential transformation of bile acids. This critical information forms the bedrock for evaluating the ecological ramifications linked to pharmaceuticals and other chemical contaminants.