Description

2-Chloro-9-Cyclopentyl-7,7-Difluoro-5-Methyl-8,9-Dihydro-5H-Pyrimido[4,5-B][1,4]Diazepin-6(7H)-One is a high-purity, advanced pharmaceutical intermediate designed for the synthesis of novel active pharmaceutical ingredients (APIs). This compound is critical for research and development in medicinal chemistry, particularly in programs targeting kinase inhibition and other therapeutic pathways. It is primarily utilized by pharmaceutical R&D laboratories, contract research organizations (CROs), and fine chemical manufacturers seeking a reliable and consistent supply of complex heterocyclic building blocks.

Application

• Pharmaceutical Intermediate: Serves as a key synthetic precursor in the development of new drug candidates, particularly in oncology and central nervous system (CNS) therapeutic areas.
• Kinase Inhibitor Research: Used as a core scaffold or building block in the design and synthesis of potential kinase inhibitors due to its pyrimidodiazepinone structure.
• Medicinal Chemistry & SAR Studies: Enables structure-activity relationship (SAR) studies to optimize potency, selectivity, and pharmacokinetic properties of lead compounds.
• Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for scale-up synthesis under cGMP conditions for clinical trial material production.
• Academic Research: Utilized in university and institutional labs for fundamental research in heterocyclic chemistry and novel synthetic methodology development.
• Bioconjugation & Probe Development: Potential use in creating chemical probes for biological target identification and validation within drug discovery pipelines.

Basic Information

Product Name	2-Chloro-9-Cyclopentyl-7,7-Difluoro-5-Methyl-8,9-Dihydro-5H-Pyrimido[4,5-B][1,4]Diazepin-6(7H)-One
CAS No.	1062246-03-0
Molecular Formula	C17H19ClF2N4O
Molecular Weight	368.81 g/mol
Synonyms	2-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one; 9-Cyclopentyl-2-chloro-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one; CAS 1062246-03-0; 5H-Pyrimido[4,5-b][1,4]diazepin-6(7H)-one, 2-chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8,9-dihydro-; 2-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one
EINECS	Contact for details

Quality Control

Every batch of 2-Chloro-9-Cyclopentyl-7,7-Difluoro-5-Methyl-8,9-Dihydro-5H-Pyrimido[4,5-B][1,4]Diazepin-6(7H)-One is manufactured and tested under a strict quality management system. Our products undergo rigorous analytical testing, including HPLC, NMR, and MS, to ensure high purity and structural identity consistent with pharmaceutical intermediate standards. Comprehensive Certificates of Analysis (COA) detailing purity, impurities, and physical characteristics are provided with each shipment to support your regulatory and R&D documentation needs.

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). This material is moisture-sensitive (hygroscopic); keep the container tightly sealed under an inert atmosphere if necessary. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
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.