Description

Ethyl 4-({[(4-Allyl-5-{[(4,6-Dimethyl-2-Pyrimidinyl)Sulfanyl]Methyl}-4H-1,2,4-Triazol-3-Yl)Sulfanyl]Acetyl}Amino)Benzoate is a high-purity, advanced pharmaceutical intermediate featuring a complex heterocyclic structure. This compound is valued for its role as a key synthetic building block in the development of novel active pharmaceutical ingredients (APIs). It is primarily utilized by research institutions and pharmaceutical manufacturers engaged in medicinal chemistry and process development. Its specific molecular architecture makes it a critical component for synthesizing targeted therapeutic agents.

Application

• Pharmaceutical Intermediate: Serves as a crucial precursor in the multi-step synthesis of potential drug candidates, particularly in oncology and antiviral research.
• Medicinal Chemistry Research: Used in lead optimization and structure-activity relationship (SAR) studies to develop new chemical entities with enhanced biological activity.
• Process Chemistry Development: Employed in scaling up synthetic routes from laboratory to pilot plant and commercial manufacturing scales.
• Custom Synthesis: A starting material for contract research and manufacturing organizations (CROs/CMOs) producing specialized compounds for client projects.
• Bioconjugation & Probe Development: Its functional groups allow for potential use in creating chemical probes for biochemical and diagnostic applications.

Basic Information

Item	Details
Product Name	Ethyl 4-({[(4-Allyl-5-{[(4,6-Dimethyl-2-Pyrimidinyl)Sulfanyl]Methyl}-4H-1,2,4-Triazol-3-Yl)Sulfanyl]Acetyl}Amino)Benzoate
CAS No.	573937-38-9
Molecular Formula	C23H26N6O3S2
Molecular Weight	498.62 g/mol
Synonyms	Ethyl 4-[[2-[[4-Allyl-5-[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4H-1,2,4-triazol-3-yl]thio]acetylamino]benzoate; Benzoic acid, 4-[[2-[[4-(2-propen-1-yl)-5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester; CAS 573937-38-9; 4-({[(4-Allyl-5-{[(4,6-Dimethyl-2-Pyrimidinyl)Thio]Methyl}-4H-1,2,4-Triazol-3-Yl)Thio]Acetyl}Amino)Benzoic Acid Ethyl Ester
EINECS	Contact for details

Quality Control

Our Ethyl 4-({[(4-Allyl-5-{[(4,6-Dimethyl-2-Pyrimidinyl)Sulfanyl]Methyl}-4H-1,2,4-Triazol-3-Yl)Sulfanyl]Acetyl}Amino)Benzoate is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided and available upon request to support your regulatory and quality assurance requirements.

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). Keep away from incompatible materials. For long-term storage, consider inert atmosphere conditions to preserve stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 2.0%

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