Description

8-Chloro-6-(2,2,3,3,5,5,6,6-Octadeuteriopiperazin-1-Yl)Benzo[B][1,4]Benzoxazepin-2-Ol CAS NO 1216833-74-7 is a deuterated derivative of a benzoxazepine-based compound, featuring a piperazine ring with eight deuterium atoms. This deuteration is critical for enhancing metabolic stability and pharmacokinetic properties in drug development research. It serves as a valuable stable isotope-labeled intermediate for pharmaceutical and agrochemical R&D, particularly in the synthesis of novel active ingredients. The compound is primarily utilized by researchers and process chemists in the life sciences sector for applications requiring isotopic tracing and advanced molecular studies.

Application

• Pharmaceutical Intermediate: A key building block in the research and development of deuterated drug candidates, leveraging the kinetic isotope effect for improved metabolic profiles.
• Metabolic and Pharmacokinetic (DMPK) Studies: Used as a stable isotope-labeled internal standard in LC-MS and GC-MS analysis for accurate quantification and metabolite identification.
• Mechanism of Action (MoA) Research: Enables isotopic tracing to elucidate biochemical pathways and drug-target interactions in preclinical studies.
• Agrochemical Research: Serves as a precursor in developing novel, deuterated active ingredients for crop protection with potentially enhanced environmental persistence or efficacy.
• Chemical Biology Probe Development: Utilized in creating labeled probes for studying receptor binding and enzyme inhibition.
• Process Chemistry & Scale-up: Acts as a critical intermediate during the optimization and scaling of synthetic routes for deuterated active pharmaceutical ingredients (APIs).

Basic Information

Product Name	8-Chloro-6-(2,2,3,3,5,5,6,6-Octadeuteriopiperazin-1-Yl)Benzo[B][1,4]Benzoxazepin-2-Ol
CAS No.	1216833-74-7
Molecular Formula	C19H11D8ClN4O2
Molecular Weight	Contact for details
Synonyms	8-Chloro-6-(octadeuteriopiperazin-1-yl)benzo[b][1,4]benzoxazepin-2-ol; 8-Chloro-6-(piperazine-d8-1-yl)benzo[b][1,4]benzoxazepin-2-ol; Deuterated Benzoxazepine Derivative; 1216833-74-7; Benzo[b][1,4]benzoxazepin-2-ol, 8-chloro-6-(2,2,3,3,5,5,6,6-octadeuterio-1-piperazinyl)-; 8-Chloro-6-(1-piperazinyl-d8)-2H-benzo[b][1,4]benzoxazepin-2-one (tautomer reference)
EINECS	Contact for details

Quality Control

Our deuterated chemical intermediates are produced under strict quality management systems to ensure batch-to-batch consistency and isotopic purity. Each lot undergoes comprehensive analytical characterization, including NMR (1H, 13C, 2D) for structural confirmation and deuterium incorporation, HPLC/UPLC for chemical purity, and LC-MS or HRMS for identity and isotopic enrichment verification. Certificates of Analysis (COA) detailing all specifications are provided with every shipment. We support cGMP and ISO 9001 compliant manufacturing for advanced research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (typically 15-25°C). The product is light-sensitive (store away from light). For long-term storage, consider storing under an inert atmosphere to ensure optimal stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (NMR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 95%
Isotopic Purity (Deuterium Enrichment)	≥ 98 atom % D
Water Content (KF)	≤ 1.0%
Residual Solvents (GC)	Complies with ICH guidelines

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