Description

(2S,4R)-2-[(Dimethylamino)Carbonyl]-4-[(Methylsulfonyl)Oxy]-1-Pyrrolidinecarboxylic Acid-D6 4-Nitrobenzyl Ester-D6 is a high-purity, deuterium-labeled pyrrolidine derivative designed for advanced research and development. This compound serves as a critical stable isotope-labeled intermediate, enabling precise metabolic and pharmacokinetic studies in pharmaceutical discovery. It is primarily utilized by medicinal chemists and analytical scientists in the pharmaceutical and biotechnology industries for the development of novel therapeutics.

Application

• Pharmaceutical Intermediate: A key deuterium-labeled building block for the synthesis of novel active pharmaceutical ingredients (APIs), particularly in protease inhibitor research.
• Metabolic Tracer: Used in mass spectrometry-based studies to track drug metabolism, absorption, distribution, and excretion (ADME) due to its stable isotope labeling.
• Internal Standard: Serves as a high-quality internal standard in quantitative bioanalytical methods (LC-MS/MS) for accurate drug quantification in biological matrices.
• Mechanistic Studies: Facilitates research into enzymatic reaction mechanisms and pathways where the deuterium label provides critical insights.
• Process Chemistry: Employed in the development and scaling of synthetic routes for deuterated drug candidates.
• Reference Standard: Provides a certified reference material for method validation, quality control, and regulatory submissions.

Basic Information

Item	Detail
Product Name	(2S,4R)-2-[(Dimethylamino)Carbonyl]-4-[(Methylsulfonyl)Oxy]-1-Pyrrolidinecarboxylic Acid-D6 4-Nitrobenzyl Ester-D6
CAS No.	1246818-66-5
Molecular Formula	C16H14D6N2O7S
Molecular Weight	Contact for details
Synonyms	4-Nitrobenzyl (2S,4R)-2-[(Dimethylamino)carbonyl]-4-[(methylsulfonyl)oxy]-1-pyrrolidinecarboxylate-d6; 1-Pyrrolidinecarboxylic acid, 2-[(dimethylamino)carbonyl]-4-[(methylsulfonyl)oxy]-, 4-nitrobenzyl ester-d6; Deuterated Pyrrolidine Mesylate Ester; (2S,4R)-N-Boc-4-Mesyloxyproline-4-Nitrobenzyl Ester-d6; Labeled Protease Inhibitor Intermediate; Stable Isotope-Labeled Pyrrolidine Derivative
EINECS	Contact for details

Quality Control

Every batch of this deuterated compound is produced and tested under strict quality management systems to ensure exceptional isotopic purity and chemical integrity. Our rigorous analytical protocols include NMR, HPLC, and mass spectrometry to confirm identity, chemical purity, and deuterium enrichment. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment to support your research and regulatory needs.

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 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%
Deuterium Enrichment (MS)	≥ 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.