Description

Pentyl 2-((7-(4-Chlorobenzyl)-3-Methyl-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Thio)Acetate is a high-purity, specialized purine derivative designed for advanced research and development applications. This compound serves as a critical chemical building block and pharmaceutical intermediate for synthesizing novel bioactive molecules. It is primarily utilized by pharmaceutical R&D laboratories and contract research organizations (CROs) focused on medicinal chemistry and drug discovery programs.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel purine-based drug candidates targeting various therapeutic areas.
• Medicinal Chemistry Research: Used as a core scaffold for structure-activity relationship (SAR) studies and lead optimization in drug discovery.
• Biochemical Tool Compound: Employed in enzymatic assays and biological screening to study purinergic signaling pathways.
• Academic Research: Serves as a reference standard and synthetic target in university laboratories studying heterocyclic chemistry.
• Custom Synthesis: A starting material for the contract manufacturing of complex, proprietary molecules for client-specific projects.

Basic Information

Product Name	Pentyl 2-((7-(4-Chlorobenzyl)-3-Methyl-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Thio)Acetate
CAS No.	317844-60-3
Molecular Formula	C20H23ClN4O4S
Molecular Weight	450.94 g/mol
Synonyms	8-[(Carboxymethyl)thio]-7-[(4-chlorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione pentyl ester; Pentyl 2-({7-[(4-Chlorophenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}thio)acetate; 8-Mercaptotheophylline Derivative; 7-(4-Chlorobenzyl)-8-((pentyloxycarbonyl)methyl)thio-3-methylxanthine; 317844-60-3; Pentyl thioacetate theophylline derivative
EINECS	Contact for details

Quality Control

Our Pentyl 2-((7-(4-Chlorobenzyl)-3-Methyl-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Thio)Acetate is manufactured under a strict quality management system. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. Certificates of Analysis (COA) with detailed chromatographic data are provided and available upon request to support your regulatory and research documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Keep the container sealed in a dry environment to minimize moisture exposure. For long-term storage, consider inert gas purging.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
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.