Description

1,7-Dimethylxanthine-[D6] (Paraxanthine) is a stable isotope-labeled analog of the primary caffeine metabolite, paraxanthine, where six hydrogen atoms are replaced by deuterium. This compound is an essential internal standard for the precise quantification of paraxanthine in complex biological matrices using mass spectrometry. It is primarily utilized by research institutions, pharmaceutical companies, and contract research organizations (CROs) engaged in pharmacokinetic studies, drug metabolism research, and clinical diagnostics.

Application

• Quantitative Bioanalysis: Serves as a critical internal standard in LC-MS/MS and GC-MS methods for the accurate measurement of paraxanthine levels in plasma, serum, and urine.
• Pharmacokinetic/Pharmacodynamic (PK/PD) Studies: Enables reliable tracking of caffeine metabolism and clearance rates in clinical and preclinical research.
• Drug Metabolism and Disposition (DMPK): Used to study enzymatic pathways, particularly those involving cytochrome P450 1A2 (CYP1A2), to assess drug-drug interactions.
• Clinical Diagnostics and Toxicology: Supports assays monitoring caffeine intake, metabolic disorders, or potential toxicity in patient samples.
• Nutritional and Sports Science Research: Facilitates studies on caffeine's ergogenic effects, metabolism in athletes, and individual metabolic variability.
• Method Development and Validation: Essential for developing, optimizing, and validating robust analytical methods in compliance with GLP and FDA guidelines.

Basic Information

Product Name	1,7-Dimethylxanthine-[D6] (Paraxanthine)
CAS No.	117490-41-2
Molecular Formula	C7H6D6N4O2
Molecular Weight	184.22 g/mol
Synonyms	Paraxanthine-d6; 1,7-Dimethylxanthine-d6; 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione-d6; 3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione-d6; 1,7-Dimethyl-2,6-dioxopurine-d6; [D6]-Paraxanthine; Deuterated Paraxanthine
EINECS	Contact for details

Quality Control

Every batch of 1,7-Dimethylxanthine-[D6] (Paraxanthine) is manufactured and analyzed under strict quality management systems. We guarantee high chemical and isotopic purity, with comprehensive testing including HPLC assay, NMR for structural confirmation, and MS for isotopic enrichment. Certificates of Analysis (COA) detailing all specifications and test results are provided with each shipment to ensure traceability and support your regulatory compliance (GLP, GMP where applicable).

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 product is hygroscopic (moisture-sensitive); ensure the container is sealed after each use to minimize exposure to atmospheric humidity. For long-term storage, consider desiccants.

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 (MS)	≥ 98.0 atom % D
Chemical Purity (NMR)	Conforms
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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