Description

n-(3-Acetylthio-2-Methylpropanoyl)Glycine tert-Butyl Ester-D5 is a deuterated isotopologue of a key thioester intermediate, where five hydrogen atoms are replaced with deuterium. This compound is of significant value in pharmaceutical research and development, particularly for use as an internal standard in quantitative mass spectrometry (LC-MS/MS) and for conducting advanced metabolism and pharmacokinetic (DMPK) studies. It is primarily utilized by research scientists and process chemists in the pharmaceutical, biotechnology, and contract research organization (CRO) sectors who require high-purity, isotopically labeled materials for analytical method development and regulatory submissions.

Application

• Internal Standard for Bioanalysis: Critical for accurate quantification in Liquid Chromatography-Tandem Mass Spectrometry (LC-MS/MS) methods during preclinical and clinical studies.
• Metabolite Identification & Tracing: Enables precise tracking of drug metabolism pathways and identification of metabolites in complex biological matrices.
• Pharmacokinetic (PK) and Toxicokinetic (TK) Studies: Used in the development and validation of robust analytical assays to determine drug concentration over time.
• Drug Discovery & Development: Serves as a stable, non-radioactive tracer in early-stage research to understand the fate of lead compounds.
• Process Chemistry & Impurity Profiling: Aids in the synthesis and characterization of related compounds and in monitoring reaction pathways.
• Regulatory Submission Support: Provides essential data for Investigational New Drug (IND) and New Drug Application (NDA) filings to agencies like the FDA and EMA.

Basic Information

Product Name	n-(3-Acetylthio-2-Methylpropanoyl)Glycine tert-Butyl Ester-D5
CAS No.	1190018-72-4
Molecular Formula	C12H14D5NO4S
Molecular Weight	~279.38 g/mol
Synonyms	N-[3-(Acetylthio)-2-methyl-1-oxopropyl]glycine 1,1-Dimethylethyl Ester-D5; (R,S)-N-(3-Acetylthio-2-methylpropionyl)glycine tert-butyl ester-D5; Captopril Metabolite Precursor-D5; 3-Acetylthio-2-methylpropionylglycine t-butyl ester-D5; Deuterated Captopril Analog Intermediate; tert-Butyl 2-[(3-acetylthio-2-methylpropanoyl)amino]acetate-D5; Glycine, N-[3-(acetylthio)-2-methyl-1-oxopropyl]-, 1,1-dimethylethyl ester-D5
EINECS	Contact for details

Quality Control

Every batch of n-(3-Acetylthio-2-Methylpropanoyl)Glycine tert-Butyl Ester-D5 is manufactured and tested under strict quality management systems. We employ advanced analytical techniques including NMR (1H, 13C), HPLC, and LC-MS to ensure identity, purity, and isotopic enrichment meet the exacting standards required for research and development. A comprehensive Certificate of Analysis (COA) detailing batch-specific results for assay, chemical purity, isotopic purity (D-content), and related substances is provided with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 2-8°C (refrigerated) or as indicated on the label or COA. This product is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to maintain stability. Allow the sealed container to equilibrate to room temperature before opening to prevent condensation.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (NMR)	Conforms to structure
Identification (HPLC)	Conforms to reference
Purity (HPLC)	≥ 98.0%
Isotopic Purity (D-content)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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