Cas no 285978-07-6 (b-Alanine-13C3,15N)

Technical Introduction: b-Alanine-13C3,15N b-Alanine-13C3,15N is a stable isotope-labeled analog of β-alanine, uniformly enriched with carbon-13 (13C) at three positions and nitrogen-15 (15N). This isotopically labeled compound is primarily utilized in metabolic research, tracer studies, and NMR spectroscopy due to its distinct isotopic signature, which enables precise tracking and quantification in biological systems. The high isotopic purity ensures minimal interference in analytical applications, making it valuable for investigating amino acid metabolism, protein synthesis, and related biochemical pathways. Its consistent labeling pattern enhances reproducibility in experimental studies, supporting advanced research in proteomics, metabolomics, and stable isotope dilution mass spectrometry (SID-MS).
b-Alanine-13C3,15N structure
b-Alanine-13C3,15N structure
Product Name:b-Alanine-13C3,15N
CAS No:285978-07-6
MF:C3H7NO2
MW:93.0645544528961
CID:248539
PubChem ID:16213480
Update Time:2025-06-26

b-Alanine-13C3,15N Chemical and Physical Properties

Names and Identifiers

    • b-Alanine-1,2,3-13C3-15N
    • 3-azanylpropanoic acid
    • BETA-ALANINE-13C3-15N
    • β-(13C3,15N)alanine
    • Beta-alanine 13C3,15N
    • CS-0376204
    • DTXSID20583981
    • 3-(15N)azanyl(1, 2, 3-13C3)propanoic acid
    • J-017140
    • beta-Alanine-13C3,15N
    • HY-N0230S
    • 3-(15N)Azanyl(1,2,3-13C3)propanoic acid
    • beta-(~13~C_3_,~15~N)Alanine
    • beta-Alanine-13C3,15N, 99 atom % 13C, 98 atom % 15N
    • beta -Alanine-13C3,15N
    • A-Alanine-13C3,15N
    • 285978-07-6
    • Beta-Alanine (13C3, 98%+; 15N, 96-99%)
    • ss-Alanine-1,2,3-13C3-15N; ss-Alanine-13C3-15N;
    • b-Alanine-13C3,15N
    • Inchi: 1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1+1,2+1,3+1,4+1
    • InChI Key: UCMIRNVEIXFBKS-JCDJMFQYSA-N
    • SMILES: O[13C]([13CH2][13CH2][15NH2])=O

Computed Properties

  • Exact Mass: 93.05477787g/mol
  • Monoisotopic Mass: 93.05477787g/mol
  • Isotope Atom Count: 4
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 2
  • Complexity: 52.8
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Color/Form: Solids
  • Density: 1.2±0.1 g/cm3
  • Melting Point: 205?°C (dec.)(lit.)
  • Boiling Point: No data available
  • Flash Point: No data available
  • Refractive Index: 1.463
  • Solubility: Not determined
  • Vapor Pressure: No data available

b-Alanine-13C3,15N Security Information

b-Alanine-13C3,15N Pricemore >>

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Additional information on b-Alanine-13C3,15N

b-Alanine-13C3,15N (CAS No. 285978-07-6): A Comprehensive Overview

b-Alanine-13C3,15N (CAS No. 285978-07-6) is a stable isotope-labeled derivative of b-alanine, a non-essential amino acid that plays a crucial role in various biological processes. This compound is extensively used in metabolic studies, drug development, and clinical research due to its unique properties and the ability to trace metabolic pathways without altering the biological activity of the parent molecule.

The chemical structure of b-Alanine-13C3,15N consists of a carboxyl group, an amino group, and a three-carbon backbone, where the carbon atoms are labeled with the stable isotope 13C and the nitrogen atom is labeled with 15N. This labeling allows for precise tracking of the compound's fate in biological systems using techniques such as mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy.

In recent years, the use of stable isotope-labeled compounds like b-Alanine-13C3,15N has gained significant attention in the field of metabolomics. Metabolomics involves the comprehensive analysis of small molecules (metabolites) in biological systems and provides valuable insights into cellular metabolism, disease states, and drug efficacy. The stable isotopes in b-Alanine-13C3,15N enable researchers to distinguish between endogenous and exogenous sources of b-alanine, thereby facilitating a more accurate understanding of metabolic pathways.

One of the key applications of b-Alanine-13C3,15N is in the study of muscle metabolism. b-Alanine is a precursor to carnosine, a dipeptide that plays a critical role in buffering intracellular pH during intense exercise. By using b-Alanine-13C3,15N, researchers can trace the synthesis and degradation of carnosine in muscle tissue, providing insights into how exercise and dietary interventions affect muscle function and performance.

In addition to its role in muscle metabolism, b-Alanine-13C3,15N has been utilized in cancer research. Cancer cells often exhibit altered metabolic profiles compared to normal cells, and understanding these changes can lead to new therapeutic strategies. Studies have shown that cancer cells can upregulate the uptake and utilization of b-alanine for energy production and biosynthesis. By using b-Alanine-13C3,15N, researchers can track these metabolic changes and identify potential targets for intervention.

The pharmaceutical industry also benefits from the use of stable isotope-labeled compounds like b-Alanine-13C3,15N. In drug development, these compounds are used to study drug metabolism and pharmacokinetics (PK). By incorporating stable isotopes into drug molecules or their precursors, researchers can track the absorption, distribution, metabolism, and excretion (ADME) properties of drugs with high precision. This information is crucial for optimizing drug formulations and dosing regimens.

Clinical trials often employ stable isotope-labeled compounds to evaluate the efficacy and safety of new drugs. For example, in phase I trials, where safety and dosing are primary concerns, b-Alanine-13C3,15N can be used to monitor drug metabolism in real-time. This approach provides valuable data on how the body processes the drug and helps identify potential adverse effects early in the development process.

The use of stable isotopes like those found in b-Alanine-13C3,15N also extends to environmental research. In this context, these compounds are used to trace the fate of pollutants in ecosystems. For instance, by labeling pollutants with stable isotopes and releasing them into controlled environments, researchers can track their movement through soil, water, and air. This information is essential for developing strategies to mitigate environmental contamination.

In summary, b-Alanine-13C3,15N (CAS No. 285978-07-6) is a versatile compound with numerous applications in biological research. Its ability to provide detailed insights into metabolic pathways makes it an invaluable tool for scientists working in metabolomics, muscle physiology, cancer biology, pharmaceutical development, and environmental science. As research continues to advance in these fields, the demand for high-quality stable isotope-labeled compounds like b-Alanine-13C3,15N is likely to grow.

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