Description

2-[(1,3-Dimethyl-2,6-Dioxo-7H-Purin-8-Yl)Sulfanyl]Acetic Acid is a high-purity, specialized xanthine derivative with a reactive thioacetic acid side chain, serving as a critical building block in advanced organic synthesis. This compound is valued for its role in creating novel molecules with potential biological activity, particularly in pharmaceutical research and development. It is primarily sought by research institutions and fine chemical manufacturers engaged in developing new therapeutic agents, especially within the fields of oncology and neurology.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel adenosine receptor antagonists and other purine-based active pharmaceutical ingredients (APIs).
• Biochemical Research: Used as a specialized reagent for studying enzyme inhibition, signal transduction pathways, and receptor-ligand interactions.
• Medicinal Chemistry: Serves as a versatile scaffold for structure-activity relationship (SAR) studies and lead optimization in drug discovery programs.
• Fine Chemical Synthesis: Employed in the custom synthesis of complex molecules for agrochemical and material science applications.

Basic Information

Product Name	2-[(1,3-Dimethyl-2,6-Dioxo-7H-Purin-8-Yl)Sulfanyl]Acetic Acid
CAS No.	82331-12-2
Molecular Formula	C9H10N4O4S
Molecular Weight	270.27 g/mol
Synonyms	8-Mercaptotheophylline-8-acetic Acid; 1,3-Dimethyl-8-sulfanylacetylxanthine; 8-(Carboxymethylthio)theophylline; 8-Thiotheophyllineacetic Acid; 2-[(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-8-yl)thio]acetic Acid; 8-(Carboxymethylthio)-1,3-dimethylxanthine; 82331-12-2; Theophylline-8-acetic Acid Thioether
EINECS	Contact for details

Quality Control

Our 2-[(1,3-Dimethyl-2,6-Dioxo-7H-Purin-8-Yl)Sulfanyl]Acetic Acid is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation, to ensure it meets the high standards required for research and synthesis. A Certificate of Analysis (COA) detailing all specifications is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after each use to prevent degradation from atmospheric moisture.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference
Purity (HPLC)	≥ 98.0%
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.