Description

3-Methylxanthine-2,4,5,6-13C4, 1,3,9-15N3 is a high-purity, multi-isotope labeled standard of the purine derivative 3-methylxanthine. This compound is essential for advanced analytical research, providing the internal reference standard necessary for achieving precise and accurate quantification in mass spectrometry-based methods. It is primarily utilized by pharmaceutical R&D laboratories, contract research organizations (CROs), and academic institutions engaged in metabolomics, pharmacokinetic studies, and the development of novel therapeutic agents targeting purinergic pathways.

Application

• Internal Standard for LC-MS/MS: Critical for the accurate quantification of 3-methylxanthine and related purine metabolites in complex biological matrices like plasma, urine, and tissue homogenates.
• Drug Metabolism and Pharmacokinetics (DMPK): Used in tracer studies to investigate the absorption, distribution, metabolism, and excretion (ADME) profiles of xanthine-based pharmaceuticals.
• Clinical Diagnostics and Biomarker Research: Enables precise measurement of purine metabolite levels for research into metabolic disorders, such as those related to caffeine metabolism or purine salvage pathways.
• Stable Isotope Labeling in Metabolomics: Serves as a labeled spike-in standard for global or targeted metabolomic profiling, improving data reliability and facilitating compound identification.
• Pharmaceutical Impurity Profiling: Acts as a reference material for the identification and quantification of process-related impurities or degradants in drug substance and product analysis.
• Biochemical Pathway Tracing: Employed in in vitro and in vivo studies to trace and elucidate specific biochemical transformations within purine metabolic networks.

Basic Information

Product Name	3-Methylxanthine-2,4,5,6-13C4, 1,3,9-15N3
CAS No.	1173022-61-1
Molecular Formula	C513C4H6N415N3O2
Molecular Weight	~185.09 g/mol (Exact mass varies with isotopic enrichment)
Synonyms	3-Methylxanthine-13C4,15N3; 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl- (13C4,15N3); [13C4,15N3]-3-Methylxanthine; Isotopically labeled 3-methylxanthine; 3-MX-13C4,15N3; Stable isotope-labeled internal standard; 3-Methyl-1H-purine-2,6-dione-13C4,15N3
EINECS	Contact for details

Quality Control

Every batch of 3-Methylxanthine-2,4,5,6-13C4, 1,3,9-15N3 is manufactured and analyzed under strict quality systems. Our products undergo rigorous quality testing, including NMR and mass spectrometry, to ensure chemical purity, isotopic purity (atom % enrichment), and isotopic positional integrity. Certificates of Analysis (COA) detailing batch-specific results are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) or as indicated on the label or COA. This material is hygroscopic (moisture-sensitive); keep the container tightly sealed in a dry environment.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (NMR)	Conforms to structure
Identification (MS)	Conforms to expected mass
Purity (HPLC)	≥ 98.0%
Isotopic Purity (Atom % 13C)	≥ 99%
Isotopic Purity (Atom % 15N)	≥ 98%
Chemical Purity	≥ 95%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.1%

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