Description

Benzoic Acid, 2-[[2-Hydroxy-3-(1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purin-7-Yl)Propyl][3-(Trifluoromethyl)Phenyl]Amino]- is a high-purity, complex organic compound designed for advanced research and development applications. This molecule is of significant interest due to its unique structural features, combining a benzoic acid core with purine and trifluoromethylphenyl moieties, which are critical for modulating biological activity and physicochemical properties. It serves as a key intermediate or reference standard for pharmaceutical discovery programs, particularly in the development of novel therapeutic agents targeting adenosine receptors or related pathways. Researchers and process chemists in the global pharmaceutical and biotechnology sectors require this precise chemical for lead optimization and analytical method development.

Application

This specialized benzoic acid derivative finds its primary utility in sophisticated chemical synthesis and life science research. Its applications include:

• Pharmaceutical Intermediate: Serving as a critical building block in the synthesis of potential drug candidates, especially those targeting neurological or inflammatory disorders.
• Biochemical Research: Used as a reference standard or probe in studying enzyme inhibition, receptor binding assays, and signal transduction pathways.
• Medicinal Chemistry: A valuable scaffold for structure-activity relationship (SAR) studies to optimize potency, selectivity, and pharmacokinetic properties of new chemical entities.
• Analytical Standard: Employed in HPLC, LC-MS, or NMR for method development, validation, and quality control of related substances in active pharmaceutical ingredients (APIs).
• Preclinical Development: Supplied for in vitro and in vivo studies during the early stages of drug discovery.

Basic Information

Product Name	Benzoic Acid, 2-[[2-Hydroxy-3-(1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purin-7-Yl)Propyl][3-(Trifluoromethyl)Phenyl]Amino]-
CAS No.	789436-24-4
Molecular Formula	C24H23F3N6O4
Molecular Weight	516.47 g/mol
Synonyms	2-({2-Hydroxy-3-[(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl][3-(trifluoromethyl)phenyl]amino})benzoic acid; 7-[3-({[2-Carboxyphenyl][3-(trifluoromethyl)phenyl]amino}-2-hydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione; A derivative of 8-(3-Aminopropyl)-1,3-dipropylxanthine; Xanthine amine congener related compound; Potential adenosine receptor ligand intermediate; Contact for details on additional trade names.
EINECS	Contact for details

Quality Control

We maintain a rigorous quality management system to ensure the integrity of our advanced intermediates. Every batch of Benzoic Acid, 2-[[2-Hydroxy-3-(1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purin-7-Yl)Propyl][3-(Trifluoromethyl)Phenyl]Amino]- is produced and analyzed under controlled conditions. Quality is verified through multiple analytical techniques including HPLC, NMR, and MS to confirm identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing all test results is provided with each shipment, ensuring full traceability and compliance with your research or development protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (typically 15-25°C). This compound is light-sensitive (store away from light), as indicated. Keep the container tightly sealed to protect from moisture and contamination. Store away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%
Heavy Metals	≤ 20 ppm

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