Description

1,7-Dimethylxanthine-[13C4,15N3] (Paraxanthine) is a stable isotope-labeled analog of the primary caffeine metabolite, paraxanthine, specifically enriched with carbon-13 and nitrogen-15. This high-purity reference standard is critical for ensuring accuracy and reliability in quantitative mass spectrometry-based analyses. It is an essential tool for researchers and quality control laboratories in the pharmaceutical, clinical diagnostics, and forensic toxicology sectors who require definitive internal standards for pharmacokinetic studies, drug metabolism research, and biomarker quantification.

Application

• Internal Standard for LC-MS/MS: Primary use as a quantitative internal standard in liquid chromatography-tandem mass spectrometry for the precise measurement of paraxanthine and related xanthines in biological matrices.
• Pharmacokinetic & Drug Metabolism Studies: Enables accurate tracking of caffeine metabolism, bioavailability, and clearance rates in clinical and pre-clinical research.
• Clinical Diagnostics: Used in assays to monitor caffeine and paraxanthine levels for therapeutic drug monitoring or metabolic disorder diagnosis.
• Forensic & Doping Control Analysis: Provides a definitive reference for confirming the presence of caffeine and its metabolites in forensic toxicology and anti-doping programs.
• Biomarker Research: Facilitates the development and validation of methods to quantify paraxanthine as a biomarker for caffeine intake or specific enzyme (CYP1A2) activity.
• Method Development & Validation: Serves as a critical component in developing, optimizing, and validating new analytical methods in compliance with GLP and ISO 17025 standards.

Basic Information

Product Name	1,7-Dimethylxanthine-[13C4,15N3] (Paraxanthine)
CAS No.	1173018-79-5
Molecular Formula	C313C4H8N215N3O2
Molecular Weight	~197.09 (Exact mass varies with enrichment level)
Synonyms	Paraxanthine-[13C4,15N3]; 1,7-Dimethylxanthine (labeled); 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione-[13C4,15N3]; 1,7-Dimethyluric acid (labeled); 7-Methylxanthine-1-methyl-[13C4,15N3]; [13C4,15N3]-Paraxanthine; Isotopically Labeled Paraxanthine; Caffeine Metabolite Standard-[13C4,15N3]
EINECS	Contact for details

Quality Control

Every batch of 1,7-Dimethylxanthine-[13C4,15N3] is manufactured and analyzed under strict quality systems. We guarantee high chemical and isotopic purity, with comprehensive characterization by NMR, HPLC, and mass spectrometry to confirm structure, enrichment level, and purity. Certificates of Analysis (COA) are provided with each shipment, detailing batch-specific data including assay, isotopic enrichment, and solvent content. Our quality commitment supports compliance with GMP/GLP principles for use in regulated research and diagnostics.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) or as indicated on the label. This material is hygroscopic (moisture-sensitive). Keep the container tightly sealed in a dry environment to prevent absorption of moisture. For long-term storage, consider desiccants or inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (NMR)	Conforms to structure
Identification (MS)	Conforms to expected m/z
Purity (HPLC)	≥ 98% (chemical purity)
Isotopic Enrichment	≥ 99 atom % 13C; ≥ 99 atom % 15N
Water Content (KF)	≤ 1.0%
Residual Solvents (GC)	Meets ICH guidelines

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