Description

1-Methylxanthine-D3 is a stable isotope-labeled analog of 1-Methylxanthine, where three hydrogen atoms are replaced by deuterium. This compound is a critical internal standard and reference material for quantitative analytical methods, ensuring accuracy and reliability in complex biological matrices. It is essential for researchers and quality control laboratories in the pharmaceutical, biotechnology, and diagnostic sectors who require precise measurement of methylxanthine metabolites in pharmacokinetic, metabolic, and clinical studies.

Application

• Internal Standard for LC-MS/MS: Primary use as a deuterated internal standard for the accurate quantification of 1-Methylxanthine and related purine metabolites in bioanalytical assays.
• Drug Metabolism & Pharmacokinetics (DMPK): Tracing metabolic pathways and studying the pharmacokinetic profile of methylxanthine-based pharmaceuticals.
• Clinical Diagnostics: Calibration and quality control in diagnostic tests measuring purine derivative levels in physiological fluids.
• Biomedical Research: Use in isotope dilution studies to investigate caffeine metabolism, enzymatic activity, and related biochemical pathways.
• Pharmaceutical Impurity Profiling: Aiding in the identification and quantification of process-related impurities or degradation products.
• Forensic & Doping Control Analysis: Supporting confirmatory testing for substances of abuse or banned substances in sports.

Basic Information

Product Name	1-Methylxanthine-D3
CAS No.	109987-37-3
Molecular Formula	C₆H₃D₃N₄O₂
Molecular Weight	167.15 g/mol
Synonyms	1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-d3; 1,3,7-Trimethylxanthine-d3 (common misnomer for labeled analog); 1-Methyl-3,7-dihydro-1H-purine-2,6-dione-d3; Deuterated 1-Methylxanthine; [D3]-1-Methylxanthine; 1-MX-d3; Internal Standard for Methylxanthine Analysis
EINECS	Contact for details

Quality Control

Our 1-Methylxanthine-D3 is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including NMR and mass spectrometry for isotopic purity confirmation and HPLC for chemical purity assessment. We provide a detailed Certificate of Analysis (COA) with each shipment, which includes batch-specific data on chemical purity, isotopic enrichment, and residual solvent content, ensuring traceability and compliance with research and regulatory standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This material is hygroscopic (moisture-sensitive); ensure the container is sealed tightly after each use to minimize exposure to atmospheric moisture. For long-term storage, consider desiccants or an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (NMR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (D3)	≥ 98.0 atom % D
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Complies with ICH guidelines

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