Description

Sodium:5-[(3-Chloro-6-Methyl-5,5-Dioxo-11H-Benzo[C][2,1]Benzothiazepin-11-Yl)Amino]-3,3,4,4-Tetradeuteriopentanoate is a high-purity, deuterated chemical intermediate of significant interest in advanced pharmaceutical research and development. This compound matters because its deuterium-labeled structure is specifically designed to alter metabolic pathways, offering the potential to improve the pharmacokinetic profiles and safety of drug candidates. It is primarily needed by pharmaceutical R&D teams and contract research organizations (CROs) focused on developing novel therapeutics with enhanced efficacy and reduced side effects.

Application

• Deuterated Active Pharmaceutical Ingredient (API) Synthesis: As a key building block for creating deuterium-enriched versions of drug molecules to study the "deuterium isotope effect."
• Metabolic Stability Studies: Used in preclinical research to investigate and improve the metabolic stability and half-life of lead compounds.
• Pharmacokinetic (PK) and Pharmacodynamic (PD) Profiling: Employed as a labeled analog in mass spectrometry-based assays for accurate quantification and tracing in biological matrices.
• Neurological and Psychiatric Drug Discovery: Serves as a specialized intermediate in the research pipeline for benzothiazepine-derived therapeutics targeting CNS disorders.
• Isotopic Internal Standard for Bioanalysis: Provides a critical reference standard in LC-MS/MS methods for the precise quantification of non-deuterated parent drugs in clinical samples.
• Process Chemistry and Route Scouting: Utilized in the development and optimization of scalable synthetic routes for deuterated pharmaceuticals.

Basic Information

Product Name	Sodium:5-[(3-Chloro-6-Methyl-5,5-Dioxo-11H-Benzo[C][2,1]Benzothiazepin-11-Yl)Amino]-3,3,4,4-Tetradeuteriopentanoate
CAS No.	1330171-36-2
Molecular Formula	C20H14D4ClN2NaO4S
Molecular Weight	451.90 g/mol (approx.)
Synonyms	Sodium 5-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]-3,3,4,4-tetradeuteriopentanoate; 11H-Benzo[c][2,1]benzothiazepine-11-pentanamide, 3-chloro-N-(5-carboxy-1,1,2,2-d4-pentyl)-6-methyl-5,5-dioxide, sodium salt (1:1); Deuterated Sodium Benzothiazepine Pentanoate; 1330171-36-2 (CAS Registry Number); Sodium (3,3,4,4-D4)-5-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]pentanoate
EINECS	Contact for details

Quality Control

Our deuterated intermediates are manufactured under strict quality management systems to ensure batch-to-batch consistency and traceability. Each lot undergoes comprehensive analytical characterization, including NMR (¹H, ¹³C, and ²H) and high-resolution mass spectrometry (HRMS), to confirm isotopic enrichment and chemical purity. Certificates of Analysis (COA) detailing identity, purity, and deuterium content are provided with every shipment. We support cGMP compliance for materials intended for advanced research applications.

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 nature, the container should be kept in a desiccated environment to prevent moisture uptake. For long-term storage, consider handling under an inert atmosphere such as nitrogen or argon.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Deuterium Enrichment (²H NMR)	≥ 98 atom % D
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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