Description

1,3-Bis(Trideuteriomethyl)-7H-Purine-2,6-Dione is a deuterated derivative of theophylline, a xanthine alkaloid, where two methyl groups are replaced with trideuteriomethyl (CD₃) groups. This strategic deuteration is crucial for enhancing metabolic stability and pharmacokinetic profiles in drug development, making it a valuable tool for creating deuterated drug candidates. It is primarily used by pharmaceutical researchers and chemical manufacturers in the development of novel therapeutics, particularly for respiratory and inflammatory conditions, as well as in the production of stable isotope-labeled internal standards for analytical chemistry.

Application

• Deuterated Drug Development: Serves as a key building block for synthesizing deuterated analogs of theophylline and related compounds to improve drug metabolism and pharmacokinetics (DMPK).
• Pharmaceutical Intermediates: Used in the synthesis of advanced pharmaceutical intermediates for respiratory stimulants and bronchodilators.
• Stable Isotope Labeling: Acts as a precursor for creating stable isotope-labeled (deuterium) internal standards used in Liquid Chromatography-Mass Spectrometry (LC-MS) for accurate bioanalytical quantification.
• Biochemical Research: Employed in metabolic pathway studies and enzyme inhibition assays to investigate mechanisms of action without interference from rapid metabolism.
• Chemical Reference Standard: Provides a high-purity, characterized reference material for quality control and method validation in analytical laboratories.

Basic Information

Product Name	1,3-Bis(Trideuteriomethyl)-7H-Purine-2,6-Dione
CAS No.	1782458-84-7
Molecular Formula	C₇H₃D₆N₄O₂
Molecular Weight	194.19 g/mol
Synonyms	1,3-Bis(trideuteromethyl)-7H-purine-2,6-dione; 1,3-Bis(methyl-d3)-7H-purine-2,6-dione; Theophylline-d6; 1,3-Dimethyl-d6-7H-purine-2,6-dione; 3,7-Dihydro-1,3-bis(trideuteriomethyl)-1H-purine-2,6-dione; Deuterated Theophylline; [d6]-Theophylline; 1,3-Dimethylxanthine-d6
EINECS	Contact for details

Quality Control

Our 1,3-Bis(Trideuteriomethyl)-7H-Purine-2,6-Dione is manufactured under strict quality systems to ensure high chemical purity and isotopic enrichment. Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing parameters such as chemical purity (by HPLC), isotopic purity (by NMR/MS), and identity confirmation. We adhere to cGMP principles for pharmaceutical intermediates, and our quality protocols are designed to meet the stringent requirements of research and development applications.

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 compound is hygroscopic (moisture-sensitive); therefore, containers must be kept tightly sealed in a dry environment to prevent degradation. For long-term storage, consider using desiccants.

Specification

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