Description

(2S,4S)-4-(Acetylthio)-2-[(Dimethylamino)Carbonyl]-1-Pyrrolidinecarboxylic Acid 4-Nitrobenzyl Ester-D6 is a high-purity, deuterium-labeled chemical intermediate of significant importance in pharmaceutical research and development. This compound serves as a critical building block in the synthesis of complex molecules, particularly for the creation of deuterated active pharmaceutical ingredients (APIs) used in drug metabolism and pharmacokinetic (DMPK) studies. It is primarily needed by pharmaceutical companies, contract research organizations (CROs), and academic institutions engaged in advanced medicinal chemistry, process development, and the production of isotopically labeled standards for mass spectrometry.

Application

• Deuterated Active Pharmaceutical Ingredient (API) Synthesis: A key intermediate for incorporating stable deuterium isotopes into drug candidates to study metabolic profiles.
• Drug Metabolism and Pharmacokinetics (DMPK) Studies: Used to create internal standards for LC-MS/MS analysis, enabling accurate quantification of parent drugs and metabolites in biological matrices.
• Medicinal Chemistry Research: Facilitates structure-activity relationship (SAR) studies by providing a deuterated analog of a key pyrrolidine-based scaffold.
• Process Chemistry and Route Scouting: Employed in the development and optimization of synthetic pathways for complex target molecules.
• Isotope Labeling Services: Supplied to custom synthesis laboratories specializing in the production of labeled compounds for research and regulatory submissions.

Basic Information

Product Name	(2S,4S)-4-(Acetylthio)-2-[(Dimethylamino)Carbonyl]-1-Pyrrolidinecarboxylic Acid 4-Nitrobenzyl Ester-D6
CAS No.	1246816-04-5
Molecular Formula	C17H17D6N2O5S
Molecular Weight	Contact for details
Synonyms	4-Nitrobenzyl (2S,4S)-4-(Acetylthio)-2-[(Dimethylamino)Carbonyl]pyrrolidine-1-carboxylate-d6; 1-Pyrrolidinecarboxylic acid, 4-(acetylthio)-2-[(dimethylamino)carbonyl]-, 4-nitrophenyl ester, (2S,4S)-, labeled with deuterium; Deuterated (2S,4S)-4-(Acetylthio)-2-[(Dimethylamino)Carbonyl]-1-Pyrrolidinecarboxylic Acid 4-Nitrobenzyl Ester; (2S,4S)-4-(Acetylthio)-2-[(Dimethylamino)Carbonyl]-1-Pyrrolidinecarboxylic Acid 4-Nitrobenzyl Ester (D6); D6-labeled Pyrrolidine Ester Intermediate; 4-Nitrobenzyl Ester-D6 Intermediate.
EINECS	Contact for details

Quality Control

Our deuterated intermediates are produced under strict quality control protocols to ensure batch-to-batch consistency and high isotopic purity, essential for sensitive analytical applications. Each lot is accompanied by a comprehensive Certificate of Analysis (COA) detailing parameters such as chemical purity, isotopic enrichment (D-content), and identity confirmation via spectroscopic methods. We adhere to cGMP principles where applicable for pharmaceutical customers, and our quality system is designed to support regulatory filings.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to maintain stability and purity. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (D-content)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
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.