Description

1-Methyl Xanthine-D3 is a deuterium-labeled analog of 1-methylxanthine, a key metabolite in the caffeine catabolic pathway. This stable isotope-labeled compound is essential for precise quantitative analysis in pharmacokinetic and metabolic studies, providing an internal standard to ensure accuracy and reliability. It is primarily required by pharmaceutical R&D laboratories, contract research organizations (CROs), and academic institutions engaged in drug metabolism and biomarker research.

Application

• Internal standard for the quantitative LC-MS/MS analysis of methylxanthine metabolites in biological matrices.
• Tracer compound in drug metabolism and pharmacokinetics (DMPK) studies for caffeine and related xanthine derivatives.
• Use in clinical research for investigating purine metabolism disorders and related biomarker profiling.
• Critical reagent in the development and validation of bioanalytical methods for pharmaceutical compounds.
• Tool compound in metabolic pathway elucidation and enzymatic activity assays.
• Reference material for quality control in the production of diagnostic kits or assays targeting caffeine metabolism.

Basic Information

Product Name	1-Methyl Xanthine-D3
CAS No.	1216430-61-3
Molecular Formula	C₆H₄D₃N₄O₂
Molecular Weight	168.15 g/mol
Synonyms	1-Methylxanthine-d3; 3,7-Dihydro-1-methyl-3H-purine-2,6-dione-d3; 1-Methyl-1H-purine-2,6(3H,7H)-dione-d3; 1-MX-d3; [2H3]-1-Methylxanthine; Deuterated 1-Methylxanthine; Caffeine Metabolite-d3
EINECS	Contact for details

Quality Control

Our 1-Methyl Xanthine-D3 is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including NMR and mass spectrometry, to confirm isotopic purity and chemical identity. A comprehensive Certificate of Analysis (COA) detailing purity, isotopic enrichment, and solvent content is provided with every shipment to ensure traceability and compliance with your research or production standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 2-8°C. This product is hygroscopic (moisture-sensitive). For long-term storage, consider desiccation or storage under an inert atmosphere to maintain stability and purity.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (NMR/MS)	≥ 98 atom % D
Chemical Purity	≥ 95%
Water Content (KF)	≤ 1.0%
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.