Description

2-Methylsulfanyl-6,7-Dihydro-9H-Pyrimido[5,4-E][1,4]Diazepine-5,8-Dicarboxylic Acid Di-tert-Butyl Ester is a high-purity, advanced pharmaceutical intermediate characterized by its complex heterocyclic structure. This compound is of significant value in medicinal chemistry for its role as a key building block in the synthesis of novel therapeutic agents. It is primarily sought after by research institutions and pharmaceutical companies engaged in the development of small-molecule drugs targeting central nervous system and oncological pathways.

Application

• Pharmaceutical Intermediate: A critical precursor in the multi-step synthesis of potential drug candidates, particularly those with fused diazepine and pyrimidine cores.
• Medicinal Chemistry Research: Used in lead optimization and structure-activity relationship (SAR) studies to develop new chemical entities with improved efficacy and safety profiles.
• CNS Drug Development: Serves as a scaffold for compounds targeting neurological receptors and enzymes, applicable in research for anxiety, depression, and cognitive disorders.
• Oncology Research: Employed in the design and synthesis of kinase inhibitors and other targeted cancer therapies due to its privileged heterocyclic structure.
• Contract Research & Manufacturing (CRO/CMO): Supplied to organizations providing custom synthesis and process development services for the global pharmaceutical industry.
• Academic Research: Utilized in university and institutional labs for fundamental studies in organic synthesis and heterocyclic chemistry.

Basic Information

Product Name	2-Methylsulfanyl-6,7-Dihydro-9H-Pyrimido[5,4-E][1,4]Diazepine-5,8-Dicarboxylic Acid Di-tert-Butyl Ester
CAS No.	1251017-28-3
Molecular Formula	C19H26N4O4S
Molecular Weight	406.50 g/mol
Synonyms	Di-tert-butyl 2-(methylthio)-6,7-dihydro-5H-pyrimido[5,4-e][1,4]diazepine-5,8-dicarboxylate; 2-(Methylthio)-6,7-dihydro-5H-pyrimido[5,4-e][1,4]diazepine-5,8-dicarboxylic acid di-tert-butyl ester; 5,8-Bis(tert-butoxycarbonyl)-2-(methylthio)-6,7-dihydro-5H-pyrimido[5,4-e][1,4]diazepine; CAS 1251017-28-3; Pyrimidodiazepine derivative intermediate; tert-Butyl protected pyrimidodiazepine ester.
EINECS	Contact for details

Quality Control

This high-value intermediate is produced under strict quality control protocols to ensure batch-to-batch consistency and purity suitable for research and development. Our quality system emphasizes traceability and documentation. Certificates of Analysis (COA) are provided with each batch, detailing purity, identity, and impurity profiles as determined by advanced analytical techniques. We support compliance with cGMP and ISO 9001 standards where required for pharmaceutical supply chains.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry, well-ventilated area. Keep away from incompatible materials such as strong oxidizing agents. For long-term storage, consider inert atmosphere conditions to preserve stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (HPLC)	Conforms to reference standard
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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