Name: Raltegravir β-D-Glucuronide-[d3]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-007897

Molecular Formula: C26H26D3FN6O11

Molecular Weight: 623.56

Chemical Structure

Description	Raltegravir β-D-Glucuronide-[d3] is the labelled analogue of Raltegravir β-D-Glucuronide, which is a metabolite of Raltegravir. Raltegravir is an integrase inhibitor as an antiretroviral drug. It can be used for the treatment of HIV infection.
Synonyms	Raltegravir-d3 β-D-Glucuronide; 4-[[[(4-Fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-1-methyl-2-[1-methyl-1-[[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino]ethyl]-6-oxopyrimidin-5-yl-d3 β-D-Glucopyranosiduronic Acid
IUPAC Name	(2R,3R,4R,5S,6R)-6-[4-[(4-fluorophenyl)methylcarbamoyl]-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxo-1-(trideuteriomethyl)pyrimidin-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CAS	952654-62-5 (unlabelled)
Canonical SMILES	CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)OC3C(C(C(C(O3)C(=O)O)O)O)O)C(=O)NCC4=CC=C(C=C4)F
InChI	InChI=1S/C26H29FN6O11/c1-10-31-32-21(42-10)20(38)30-26(2,3)25-29-13(19(37)28-9-11-5-7-12(27)8-6-11)17(22(39)33(25)4)43-24-16(36)14(34)15(35)18(44-24)23(40)41/h5-8,14-16,18,24,34-36H,9H2,1-4H3,(H,28,37)(H,30,38)(H,40,41)/t14-,15-,16+,18-,24+/m1/s1/i4D3
InChI Key	DNIJULFVNPGGMF-SFIPPOAQSA-N
Melting Point	142-144°C
Purity	≥94%; ≥95% atom D
Solubility	Slightly soluble in Methanol
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere

Raltegravir β-D-Glucuronide-[d3], a deuterium-labeled metabolite of the integrase inhibitor raltegravir, primarily utilized in research contexts, possesses diverse applications. Here are key applications explored with high perplexity and burstiness:

Pharmacokinetic Studies: Delving into the intricate world of pharmacokinetics, Raltegravir β-D-Glucuronide-[d3] serves as a valuable tool for unraveling the metabolism and excretion patterns of raltegravir. The deuterium labeling offers a precise method for tracking this metabolite in biological samples through mass spectrometry. This precise information holds immense importance in understanding the absorption, distribution, metabolism, and elimination profiles of the drug.

Drug Interaction Research: Researchers leverage Raltegravir β-D-Glucuronide-[d3] to delve into the complexities of drug interactions, both in vitro and in vivo settings. By scrutinizing how various drugs impact the metabolism of raltegravir, scientists can predict and mitigate potential adverse interactions in clinical scenarios. This application is pivotal for ensuring the safe co-administration of raltegravir alongside other medications in the treatment regimens for HIV.

Metabolic Pathway Elucidation: In the realm of metabolic research, Raltegravir β-D-Glucuronide-[d3] plays a critical role in unveiling the intricate pathways through which raltegravir undergoes processing within the body. The deuterium labeling brings forth a meticulous analysis of enzyme activity and reaction mechanisms involved in glucuronidation processes. These studies contribute significantly to our comprehension of drug metabolism and potential variabilities across different populations.

Analytical Method Development: The labeled compound Raltegravir β-D-Glucuronide-[d3] serves as a cornerstone in the development and validation of analytical methods used for detecting and quantifying raltegravir metabolites. High-performance liquid chromatography coupled with mass spectrometry (HPLC-MS) often employs this labeled metabolite as an internal standard for precise measurements. Such analytical methods are indispensable in both research and clinical settings, ensuring the accuracy and reliability of drug level assessments.