Description

1-Methylxanthine-13C4,15N3 is a stable isotope-labeled analog of 1-methylxanthine, a key metabolite in the caffeine degradation pathway. This high-purity labeled compound is essential for precise quantitative analysis in pharmacokinetic and metabolic studies, providing unmatched accuracy as an internal standard. It is primarily utilized by research institutions and pharmaceutical companies engaged in advanced LC-MS/MS and NMR-based bioanalytical method development and validation.

Application

• Internal Standard for Quantitative Bioanalysis: Critical for accurate quantification of 1-methylxanthine and related purine metabolites in biological matrices (plasma, urine, tissue) using LC-MS/MS.
• Metabolic Pathway Tracing: Enables detailed investigation of caffeine metabolism and purine catabolism in preclinical and clinical research.
• Drug Metabolism and Pharmacokinetics (DMPK): Used in studies to understand the absorption, distribution, metabolism, and excretion (ADME) profiles of xanthine-based pharmaceuticals.
• Biomarker Discovery and Validation: Supports the development and validation of assays for purine-related biomarkers in disease research.
• High-End Reference Material: Serves as a certified reference standard for quality control in analytical laboratories and for calibrating instrumentation.

Basic Information

Product Name	1-Methylxanthine-13C4,15N3
CAS No.	1173018-69-3
Molecular Formula	C513C4H6N15N3O2
Molecular Weight	187.08 g/mol (labeled)
Synonyms	1,7-Dihydro-1-methyl-3H-purine-2,6-dione-13C4,15N3; 1-Methyl-3,7-dihydropurine-2,6-dione-13C4,15N3; 1-MX-13C4,15N3; [13C4,15N3]-1-Methylxanthine; Isotopically Labeled 1-Methylxanthine; 1-Methylxanthine (13C4, 15N3); 1-Methyl-2,6-dihydroxypurine-13C4,15N3
EINECS	Contact for details

Quality Control

Every batch of 1-Methylxanthine-13C4,15N3 is manufactured under strict quality management systems and undergoes comprehensive analytical characterization. We guarantee high chemical and isotopic purity, verified by advanced techniques including NMR, HPLC, and mass spectrometry. A detailed Certificate of Analysis (COA), providing batch-specific data on purity, isotopic enrichment, and solvent content, is supplied with each product to ensure traceability and compliance with your research protocols.

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) and should be handled under anhydrous conditions to maintain stability and purity. For long-term storage, consider desiccation.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (NMR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Enrichment	≥ 99 atom % 13C; ≥ 99 atom % 15N
Chemical Purity (NMR)	≥ 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.