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N-Acetyl-S-(propyl-[d7])-L-cysteine

General Information
Catalog: BLP-009921
CAS: 1331909-69-3
Molecular Formula: C8H8D7NO3S
Molecular Weight: 212.31
Chemical Structure
N-Acetyl-S-(propyl-[d7])-L-cysteine
Description N-Acetyl-S-(propyl-[d7])-L-cysteine is a labelled N-Acetyl-S-propyl-L-cysteine, which is a biomarker of 1-bromopropane exposure.
Synonyms L-S-Propylmercaputuric Acid-d7; N-Acetyl-S-(n-propyl-d7)-L-cysteine
IUPAC Name (2R)-2-acetamido-3-(1,1,2,2,3,3,3-heptadeuteriopropylsulfanyl)propanoic acid
Related CAS 14402-54-1 (unlabelled)
Canonical SMILES CCCSCC(C(=O)O)NC(=O)C
InChI InChI=1S/C8H15NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)/t7-/m0/s1/i1D3,3D2,4D2
InChI Key PSOKBYBSKZWNMI-DPYIPTSLSA-N
Purity 95% by HPLC; 98% atom D

N-Acetyl-S-(propyl-[d7])-L-cysteine is a stable isotope-labeled compound that finds versatile applications, particularly in biochemical and preclinical research. Here are some key applications of N-Acetyl-S-(propyl-[d7])-L-cysteine:

Metabolomics: In metabolomics, N-Acetyl-S-(propyl-[d7])-L-cysteine is used as an internal standard for quantitative analysis. Its stable isotope label allows for accurate and precise measurement of metabolite concentrations in complex biological samples through mass spectrometry. This facilitates the study of metabolic changes in disease states or in response to treatment.

Pharmacokinetics: N-Acetyl-S-(propyl-[d7])-L-cysteine is employed in pharmacokinetic studies to track the metabolism and distribution of drugs. By integrating this labeled compound into pharmaceutical formulations, researchers can monitor the absorption, distribution, metabolism, and excretion (ADME) of drugs in vivo. This helps in optimizing dosing regimens and improving drug efficacy and safety profiles.

Toxicology: In toxicology research, N-Acetyl-S-(propyl-[d7])-L-cysteine is used to analyze the detoxification pathways and the bioactivation of toxic substances. It serves as a biomarker to study the conjugation reactions involving glutathione, providing insights into the body’s response to toxic exposures. This application is crucial for assessing the safety and risk of chemicals and pharmaceuticals.

Proteomics: N-Acetyl-S-(propyl-[d7])-L-cysteine can be utilized in proteomic studies to investigate protein modifications and interactions. The incorporation of this labeled compound allows for the detection of thiol modifications in proteins, which can be crucial for understanding cellular redox states and signaling pathways. This application aids in the identification of potential biomarkers and therapeutic targets in various diseases.

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