Cas no 131685-11-5 (N-Acetyl-L-cysteine-d3)

N-Acetyl-L-cysteine-d3 is a deuterated analog of N-acetyl-L-cysteine (NAC), where three hydrogen atoms are replaced with deuterium. This stable isotope-labeled compound is primarily used as an internal standard in mass spectrometry-based analytical methods, ensuring precise quantification of NAC in pharmacokinetic and metabolic studies. Its structural similarity to NAC allows for accurate calibration and minimal matrix interference. The deuterium substitution enhances molecular stability, reducing metabolic interference and improving detection sensitivity. N-Acetyl-L-cysteine-d3 is particularly valuable in research involving oxidative stress, detoxification pathways, and mucolytic activity, where high-purity isotopic standards are essential for reliable data interpretation.
N-Acetyl-L-cysteine-d3 structure
N-Acetyl-L-cysteine-d3 structure
Product Name:N-Acetyl-L-cysteine-d3
CAS No:131685-11-5
MF:C5H9NO3S
MW:166.21334528923
CID:824673
PubChem ID:54211755
Update Time:2025-05-24

N-Acetyl-L-cysteine-d3 Chemical and Physical Properties

Names and Identifiers

    • N-Acetyl-d3-L-cysteine
    • N-Acetyl-L-cysteine-d3
    • AB53647
    • N-(Acetyl-d3)-L-cysteine
    • N-[2H3]Acetylcysteine
    • N-Acetylcysteine-d3
    • Acetylcysteine-d3
    • N-trideuteroacetyl-l-cysteine
    • J-006035
    • DB-320874
    • CS-0377157
    • (2R)-3-sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
    • (2R)-2-[(2,2,2-?H?)acetamido]-3-sulfanylpropanoic acid
    • L-Cysteine, N-(acetyl-d3)- (9CI)
    • 131685-11-5
    • (2R)-2-[(2,2,2-(2)H?)ACETAMIDO]-3-SULFANYLPROPANOIC ACID
    • C90393
    • HY-B0215S
    • Inchi: 1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1/i1D3
    • InChI Key: PWKSKIMOESPYIA-OSIBIXDNSA-N
    • SMILES: SC[C@@H](C(=O)O)NC(C([2H])([2H])[2H])=O

Computed Properties

  • Exact Mass: 169.06799
  • Monoisotopic Mass: 166.04914456g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 148
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 67.4?2

Experimental Properties

  • Color/Form: Gray white solid
  • Density: 1.319
  • Melting Point: 98-100°C
  • Boiling Point: 407.678 °C at 760 mmHg
  • Flash Point: 200.357 °C
  • Refractive Index: 1.519
  • PSA: 66.4
  • LogP: -0.10360

N-Acetyl-L-cysteine-d3 Security Information

  • Storage Condition:-20°C Freezer

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Additional information on N-Acetyl-L-cysteine-d3

Professional Introduction to N-Acetyl-L-cysteine-d3 (CAS No. 131685-11-5)

N-Acetyl-L-cysteine-d3, with the chemical formula C?H?NO?S·D?, is a deuterated derivative of N-acetyl-L-cysteine (NAC), a well-known thiol-containing compound widely used in pharmaceutical and biochemical research. The inclusion of deuterium isotopes (3H) enhances its utility in various analytical and metabolic studies, making it a valuable tool for researchers exploring the mechanisms of oxidative stress and detoxification processes.

The compound is primarily recognized for its role as a precursor in the synthesis of labeled biomolecules, enabling precise tracking of metabolic pathways. Its applications span across multiple domains, including drug metabolism studies, enzyme kinetics, and proteomics. The stability provided by the deuterium label allows for more accurate and sensitive detection in mass spectrometry analyses, which is crucial for understanding the intricate processes within biological systems.

In recent years, N-Acetyl-L-cysteine-d3 has gained significant attention in the field of pharmacokinetics and drug development. Researchers have leveraged its unique properties to investigate how various therapeutic agents interact with biological systems. For instance, studies have demonstrated its effectiveness in probing the metabolic pathways of anti-inflammatory drugs, providing insights into their efficacy and potential side effects. This has been particularly valuable in developing personalized medicine approaches, where understanding individual metabolic variations is key.

The use of N-Acetyl-L-cysteine-d3 in clinical trials has also been noteworthy. Its incorporation into experimental protocols has allowed scientists to monitor the bioavailability and biodistribution of novel compounds more effectively. By employing this labeled derivative, researchers can discern subtle differences in drug absorption and excretion rates, which are critical parameters in determining therapeutic dosages and treatment schedules. Such advancements have paved the way for more refined and targeted therapeutic interventions.

Moreover, the compound's role in proteomics research cannot be overstated. Proteins are fundamental to nearly all cellular processes, and understanding their dynamics is essential for unraveling disease mechanisms. N-Acetyl-L-cysteine-d3 has been instrumental in labeling proteins for mass spectrometry analysis, enabling high-resolution profiling of protein modifications and interactions. This has led to significant discoveries in areas such as cancer biology and neurodegenerative diseases, where protein misfolding and oxidative stress play pivotal roles.

From a synthetic chemistry perspective, N-Acetyl-L-cysteine-d3 serves as a versatile building block for creating labeled analogs of biomolecules. The introduction of deuterium atoms not only improves analytical sensitivity but also offers a means to study kinetic isotope effects (KIEs), which can provide insights into reaction mechanisms at the molecular level. This has been particularly useful in developing new synthetic methodologies that enhance efficiency and selectivity in drug synthesis.

The compound's stability under various experimental conditions makes it an ideal candidate for long-term studies. Whether used in high-throughput screening assays or detailed mechanistic investigations, N-Acetyl-L-cysteine-d3 consistently delivers reliable results. This reliability is crucial for generating robust data sets that can be used to validate hypotheses and drive further research forward.

As our understanding of complex biological systems continues to evolve, the demand for sophisticated tools like N-Acetyl-L-cysteine-d3 will only increase. Its ability to provide detailed insights into metabolic pathways, protein dynamics, and drug interactions positions it as an indispensable resource for scientists worldwide. By harnessing its unique properties, researchers can continue to push the boundaries of biomedical research, leading to breakthroughs that improve human health outcomes.

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