Description

Propanethioic-1-13C Acid, 2-Methyl-, S-[2-(Acetylamino)Ethyl] Ester is a stable isotope-labeled (13C) derivative of a thioester compound, serving as a critical tool for precise metabolic and pharmacokinetic studies. Its value lies in enabling highly accurate quantitative analysis via mass spectrometry, eliminating background interference from endogenous compounds. This labeled intermediate is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and advanced material science sectors who require definitive tracking of molecular pathways.

Application

• Isotope-Labeled Reference Standard: Used as an internal standard in LC-MS/MS and GC-MS for the quantitative bioanalysis of drugs and their metabolites.
• Metabolic Pathway Tracing: Employed in in vitro and in vivo studies to elucidate the absorption, distribution, metabolism, and excretion (ADME) profiles of novel therapeutic agents.
• Proteomics & Biomarker Research: Facilitates accurate quantification in stable isotope labeling by amino acids in cell culture (SILAC) and other proteomic techniques.
• Chemical Synthesis Intermediate: Acts as a building block for the synthesis of more complex 13C-labeled target molecules for research and development.
• Environmental Fate Studies: Applied in agrochemical research to track the environmental degradation and transformation pathways of active ingredients.

Basic Information

Product Name	Propanethioic-1-13C Acid, 2-Methyl-, S-[2-(Acetylamino)Ethyl] Ester
CAS No.	945634-89-9
Molecular Formula	C8H15NO2S (with 13C at position 1)
Molecular Weight	~189.28 g/mol (13C adjusted)
Synonyms	2-Methylpropanethioic-1-13C acid S-(2-acetamidoethyl) ester; S-[2-(Acetylamino)ethyl] 2-methylpropanethioate-1-13C; 13C-Labeled Thioisobutyryl N-acetylcysteamine; N-Acetylcysteamine thioester of 2-methylpropanoic-1-13C acid; Isotopic Labeled Acyl-CoA Thioester Mimetic; [1-13C]-2-Methylpropanoyl-CoA N-acetylcysteamine analog
EINECS	Contact for details

Quality Control

Every batch of our isotope-labeled compounds is produced and analyzed under stringent conditions to ensure high chemical and isotopic purity. Quality is verified by advanced analytical techniques including NMR (1H, 13C), HPLC, and mass spectrometry. A comprehensive Certificate of Analysis (COA) is provided with each shipment, detailing the isotopic enrichment (atom % 13C), chemical purity, and solvent content. Our quality system supports compliance with relevant research and development standards.

Storage

Preserve in a tightly closed container, protected from light. Store at -20°C or below under an inert atmosphere for long-term stability. For short-term use, the material may be stored at 2-8°C. Allow the sealed vial to equilibrate to room temperature before opening to minimize moisture uptake.

Specification

Item	Specification
Appearance	White to off-white solid or oil
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95%
Isotopic Enrichment (MS)	≥ 99 atom % 13C
Chemical Purity (NMR/HPLC)	≥ 90%
Solvent Content (Residual Solvents)	Meets ICH guidelines

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