Description

Acetic Acid, [4-[3-[(6-Amino-1,2,3,4-Tetrahydro-2,4-Dioxo-1,3-Dipropyl-5-Pyrimidinyl)Amino]-2-Methyl-3-Oxopropyl]Phenoxy]-, 1,1-Dimethylethyl Ester is a high-purity, specialized pharmaceutical intermediate with the CAS number 144872-05-9. This compound is critical for its role as a key building block in the synthesis of advanced active pharmaceutical ingredients (APIs), particularly in the cardiovascular and metabolic disease therapeutic areas. It is essential for research institutions and pharmaceutical manufacturers engaged in the development and scale-up of novel drug candidates requiring precise chemical scaffolds.

Application

• Pharmaceutical Intermediate: Primary use as a critical precursor in the multi-step synthesis of complex drug molecules, especially A2A adenosine receptor antagonists.
• API Synthesis: Key building block for the manufacture of Active Pharmaceutical Ingredients (APIs) targeting cardiovascular conditions such as hypertension and heart failure.
• Preclinical & Clinical Research: Serves as a standard or starting material in medicinal chemistry programs for drug discovery and optimization.
• Process Development & Scale-Up: Used in pilot plants and manufacturing facilities to develop and optimize robust, scalable synthetic routes for new chemical entities.
• Reference Standard: Can be utilized as an analytical reference standard for quality control and method validation in pharmaceutical analysis.

Basic Information

Product Name	Acetic Acid, [4-[3-[(6-Amino-1,2,3,4-Tetrahydro-2,4-Dioxo-1,3-Dipropyl-5-Pyrimidinyl)Amino]-2-Methyl-3-Oxopropyl]Phenoxy]-, 1,1-Dimethylethyl Ester
CAS No.	144872-05-9
Molecular Formula	C28H42N4O6
Molecular Weight	530.66 g/mol
Synonyms	1,1-Dimethylethyl [4-[3-[(6-Amino-1,3-dipropyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)amino]-2-methyl-3-oxopropyl]phenoxy]acetate; KW-3902 Derivative; KW-3902 Intermediate; 8-(4-((tert-Butoxycarbonylmethyl)oxy)phenyl)-1,3-dipropyl-7-methylxanthine Precursor; Adenosine A2A Receptor Antagonist Intermediate; Rolofylline Intermediate
EINECS	Contact for details

Quality Control

This high-value intermediate is produced under strict GMP (Good Manufacturing Practice) guidelines where applicable for pharmaceutical use. Every batch undergoes comprehensive analytical characterization using HPLC, GC, NMR, and MS to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all critical quality attributes are provided and can be tailored to meet specific client or regulatory submission requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). The product is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere (e.g., nitrogen) for prolonged exposure to ensure stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 98.0%
Related Substances (HPLC)	Total impurities ≤ 2.0% Any single impurity ≤ 1.0%
Residual Solvents (GC)	Complies with ICH Q3C guidelines
Water Content (KF)	≤ 0.5%
Heavy Metals	≤ 20 ppm

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