Description

1-(3-Carboxypropyl)3,7-Dimethyl Xanthine-D6 is a high-purity, deuterium-labeled analog of a key xanthine derivative, specifically designed for use as an internal standard in advanced analytical applications. This stable isotope-labeled compound is essential for ensuring the accuracy and reliability of quantitative analyses, particularly in mass spectrometry, by correcting for variations in sample preparation and instrument response. It is critically needed by research scientists and quality control laboratories in the pharmaceutical, biotechnology, and clinical diagnostics sectors for method development, pharmacokinetic studies, and bioanalytical validation.

Application

• Internal Standard for LC-MS/MS: Primary application as a quantitative internal standard in liquid chromatography-tandem mass spectrometry for the accurate measurement of its non-deuterated counterpart or related metabolites in complex biological matrices.
• Pharmaceutical R&D: Used in drug metabolism and pharmacokinetics (DMPK) studies to track the absorption, distribution, metabolism, and excretion (ADME) of parent drug compounds.
• Bioanalytical Method Validation: Critical for developing and validating robust, GLP-compliant analytical methods in support of preclinical and clinical trials.
• Metabolomics Research: Enables precise quantification in targeted metabolomics studies investigating purine and xanthine metabolic pathways.
• Clinical Diagnostics: Potential use in developing high-sensitivity diagnostic assays for monitoring specific biomarkers or therapeutic drug levels in patient samples.
• Quality Control Reference: Serves as a certified reference material for in-house quality control and calibration within analytical laboratories.

Basic Information

Product Name	1-(3-Carboxypropyl)3,7-Dimethyl Xanthine-D6
CAS No.	1246816-64-7
Molecular Formula	C₁₁H₁₀D₆N₄O₃
Molecular Weight	254.29 g/mol
Synonyms	3,7-Dimethyl-1-(3-carboxypropyl)xanthine-d6; 1-(3-Carboxypropyl)theophylline-d6; CPTX-d6; 8-[3-Carboxypropyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purine-7-d6; Deuterated 1-(3-Carboxypropyl)-3,7-dimethylxanthine; 1,3-Dimethyl-7-(3-carboxypropyl)-3,7-dihydro-1H-purine-2,6-dione-d6; Theophylline-7-acetic acid-d6 derivative; (RS)-1,3-Dimethyl-7-(2-carboxyethyl)xanthine-d6
EINECS	Contact for details

Quality Control

Our deuterated compounds are manufactured under strict quality systems to ensure high isotopic purity and chemical integrity. Each batch is characterized by advanced spectroscopic and chromatographic techniques, including NMR and HPLC-MS, to confirm deuteration level and chemical purity. Certificates of Analysis (COA) detailing batch-specific data for isotopic enrichment (typically ≥98% D), chemical purity (by HPLC), and identity confirmation are provided. We support compliance with GLP and ISO 17025 standards for research and regulatory submissions.

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 product is hygroscopic (moisture-sensitive). For long-term storage, consider desiccation and storage under inert atmosphere to maintain stability and isotopic integrity.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥98.0%
Isotopic Purity (D-content)	≥98 atom % D
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.