Description

4-Chloro-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine hydrochloride is a high-purity, advanced pharmaceutical intermediate with a complex heterocyclic structure. This compound is of significant value in medicinal chemistry for the research and development of novel therapeutic agents, particularly kinase inhibitors. It is primarily utilized by pharmaceutical R&D laboratories, biotechnology companies, and contract research organizations (CROs) engaged in the synthesis of new chemical entities (NCEs).

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of potential drug candidates targeting various disease pathways.
• Kinase Inhibitor Research: Serves as a core scaffold for the development of small molecule inhibitors for oncology and inflammatory disease applications.
• Medicinal Chemistry & Lead Optimization: Used in structure-activity relationship (SAR) studies to optimize the potency and selectivity of drug-like molecules.
• Biochemical Assay Development: Employed as a reference standard or probe compound in high-throughput screening (HTS) and in vitro assays.
• Academic Research: Utilized in university and institutional labs for fundamental studies in organic synthesis and heterocyclic chemistry.
• Custom Synthesis & Scale-Up: A starting material for contract manufacturing organizations (CMOs) offering custom synthesis services from milligram to kilogram scale.

Basic Information

Product Name	4-Chloro-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine hydrochloride
CAS No.	1057338-58-5
Molecular Formula	C9H11ClN4•HCl
Molecular Weight	247.57 g/mol (Free base: 210.66 g/mol)
Synonyms	4-Chloro-5,6,7,8-tetrahydro-9H-pyrimido[5,4-d]azepine hydrochloride; 4-Chloro-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine HCl; 4-Chloro-5H-pyrimido[5,4-d]azepine, 6,7,8,9-tetrahydro-, hydrochloride; Pyrimidoazepine hydrochloride derivative; 1057338-58-5 (CAS)
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards for research and development. We provide comprehensive analytical data to support your projects. Certificates of Analysis (COA) are available upon request, detailing purity, identity, and impurity profiles as determined by advanced analytical techniques such as HPLC, NMR, and LC-MS.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed in a dry environment to prevent degradation. For long-term storage, consider desiccated conditions.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (HPLC)	Conforms to reference standard
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
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.