Description

Benzenecarbothioic Acid, S-[(1Z)-2-[[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]Formylamino]-1-[2-(Phosphonooxy)Ethyl]-1-Propen-1-Yl] Ester is a sophisticated synthetic intermediate of significant interest in advanced pharmaceutical research and development. This compound is valued for its complex molecular architecture, which incorporates key functional groups such as a pyrimidine ring, a phosphonooxy moiety, and a thioester linkage. It is primarily sought after by research institutions and pharmaceutical companies engaged in the synthesis of novel therapeutic agents, particularly in areas requiring targeted molecular scaffolds. The product is supplied with a focus on high purity and batch-to-batch consistency to support critical R&D and scale-up processes.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of novel drug candidates, particularly for targeted therapies.
• Biochemical Research: Used in proteomics and enzyme studies as a potential substrate or inhibitor due to its thioester and phosphate mimic groups.
• Nucleotide Analogue Synthesis: Employed in the development of modified nucleotides or nucleoside prodrugs, leveraging its pyrimidine and phosphonooxy components.
• Antiviral & Anticancer Agent Development: Investigated for its potential role in creating compounds that interfere with cellular signaling or viral replication pathways.
• Chemical Biology Probes: Utilized in the design of activity-based probes for studying specific enzyme families in complex biological systems.
• Pre-clinical Development: Supports medicinal chemistry efforts in lead optimization and pharmacokinetic/pharmacodynamic (PK/PD) studies.

Basic Information

Item	Details
Product Name	Benzenecarbothioic Acid, S-[(1Z)-2-[[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]Formylamino]-1-[2-(Phosphonooxy)Ethyl]-1-Propen-1-Yl] Ester
CAS No.	775256-41-2
Molecular Formula	C20H25N4O6PS
Molecular Weight	480.48 g/mol
Synonyms	S-[(1Z)-2-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)ethyl]-1-propen-1-yl] benzenecarbothioate; Benzenecarbothioic acid, S-[(1Z)-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamido]-1-[2-(phosphonooxy)ethyl]-1-propenyl] ester; Thiamine pyrophosphate analogue; TPP analogue; Phosphorylated thioester intermediate; CAS 775256-41-2
EINECS	Contact for details

Quality Control

Every batch of this advanced intermediate is produced under strict quality management protocols. Our products undergo rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and conformity to specified standards. A comprehensive Certificate of Analysis (COA) detailing all test results is provided with each shipment to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to maintain stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms
Identification (NMR)	Conforms
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 2.0%
Residual Solvents (GC)	Meets ICH guidelines

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