Description

3-Methylxanthine-13C4,15N3 is a stable isotope-labeled analog of 3-methylxanthine, a key metabolite in caffeine and theophylline catabolism. This compound is essential for advanced quantitative mass spectrometry, providing an internal standard for precise pharmacokinetic and metabolic profiling studies. It is primarily utilized by pharmaceutical R&D laboratories, contract research organizations (CROs), and academic institutions focused on drug metabolism and biomarker discovery.

Application

• Internal Standard for LC-MS/MS: Serves as a critical quantitative reference standard in liquid chromatography-tandem mass spectrometry for the accurate measurement of 3-methylxanthine and related purine metabolites in biological matrices.
• Drug Metabolism and Pharmacokinetics (DMPK): Enables precise tracking of caffeine and theophylline metabolic pathways in preclinical and clinical studies.
• Biomarker Research: Used in the development and validation of assays for purine metabolite biomarkers associated with various physiological states and diseases.
• Stable Isotope Dilution Analysis (SIDA): Fundamental for high-accuracy quantification methods in complex sample analysis.
• Pharmaceutical Impurity Profiling: Aids in the identification and quantification of process-related impurities or degradation products in drug substances.
• Nutritional and Clinical Toxicology Studies: Supports research into caffeine intake, exposure assessment, and related toxicological evaluations.

Basic Information

Product Name	3-Methylxanthine-13C4,15N3
CAS No.	1173018-93-3
Molecular Formula	C413C3H6N115N2O2
Molecular Weight	181.09 g/mol (labeled)
Synonyms	1,3-Dimethyl-2,6-dioxo-7H-purine-13C4,15N3; 1,3-Dimethylxanthine-13C4,15N3; 3-Methylxanthine (13C4,15N3); [13C4,15N3]-3-Methylxanthine; Theophylline Metabolite-13C4,15N3; Stable Isotope Labeled 3-MX; 3-MX-13C4,15N3
EINECS	Contact for details

Quality Control

Every batch of 3-Methylxanthine-13C4,15N3 is manufactured and analyzed under strict quality management systems. We provide comprehensive analytical data to ensure product integrity for your critical research applications. A detailed Certificate of Analysis (COA) is supplied with each shipment, reporting key parameters including isotopic purity (Atom % 13C and 15N), chemical purity by HPLC, and identity confirmation by NMR and MS.

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) and should be handled in a dry environment to maintain stability. For long-term storage, consider desiccant in the container.

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 (13C)	≥ 99 atom % 13C
Isotopic Purity (15N)	≥ 99 atom % 15N
Chemical Purity (NMR)	Conforms
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.