Cas no 1185016-45-8 (Homovanillic Acid-13C6)

Homovanillic Acid-13C6 structure
Homovanillic Acid-13C6 structure
Product Name:Homovanillic Acid-13C6
CAS No:1185016-45-8
MF:C9H10O4
MW:188.129231929779
CID:895435
PubChem ID:46781706
Update Time:2025-07-17

Homovanillic Acid-13C6 Chemical and Physical Properties

Names and Identifiers

    • Homovanillic Acid-13C6
    • 2-(4-hydroxy-3-methoxyphenyl)acetic acid
    • 4-Hydroxy-3-methoxy(benzene-13C6)acetic Acid
    • 1185016-45-8
    • 4-Hydroxy-3-methoxy(phenyl-13C6)acetic Acid
    • [4-Hydroxy-3-methoxy(~13~C_6_)phenyl]acetic acid
    • J-003779
    • 2-(4-hydroxy-3-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)acetic acid
    • DTXSID70675921
    • Inchi: 1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)/i2+1,3+1,4+1,6+1,7+1,8+1
    • InChI Key: QRMZSPFSDQBLIX-BOCFXHSMSA-N
    • SMILES: O(C)[13C]1=[13C]([13CH]=[13CH][13C](=[13CH]1)CC(=O)O)O

Computed Properties

  • Exact Mass: 188.07800
  • Monoisotopic Mass: 188.07803781g/mol
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 181
  • 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
  • XLogP3: 0.4
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • Melting Point: 119-130°C
  • PSA: 66.76000
  • LogP: 1.02790

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Additional information on Homovanillic Acid-13C6

Homovanillic Acid-13C6: A Detailed Overview of CAS No. 1185016-45-8

The compound Homovanillic Acid-13C6 (CAS No. 1185016-45-8) is a significant molecule in the field of biochemical research and pharmaceutical development. This isotope-labeled derivative of homovanillic acid has garnered considerable attention due to its unique properties and potential applications in various scientific domains.

Homovanillic Acid-13C6 is a stable isotope-labeled form of homovanillic acid, which is a major metabolite of L-dopa in the human body. The incorporation of the carbon-13 isotope allows for precise tracing and analysis in metabolic studies, making it an invaluable tool for researchers studying neurodegenerative diseases, particularly Parkinson's disease. The use of this labeled compound enhances the sensitivity and specificity of diagnostic techniques, providing deeper insights into the metabolic pathways involved.

The structural formula of Homovanillic Acid-13C6 consists of a phenolic group attached to a three-carbon side chain, with the carbon-13 isotope specifically incorporated into one of the methylene groups. This modification not only retains the biological activity of homovanillic acid but also allows for non-invasive monitoring through nuclear magnetic resonance (NMR) spectroscopy. This capability is particularly crucial in clinical settings where real-time monitoring of metabolic processes is essential for accurate diagnosis and treatment planning.

In recent years, advancements in mass spectrometry techniques have further enhanced the utility of Homovanillic Acid-13C6. Researchers are leveraging these techniques to study the kinetics and dynamics of neurotransmitter metabolism with unprecedented detail. For instance, studies have shown that the administration of this labeled compound can help in identifying alterations in dopamine metabolism associated with various neurological disorders. This has opened up new avenues for therapeutic intervention and personalized medicine.

The pharmacokinetic properties of Homovanillic Acid-13C6 have also been extensively studied. Its high bioavailability and long half-life make it an ideal candidate for use in long-term monitoring protocols. Furthermore, its stability under various physiological conditions ensures that it can be reliably used in both preclinical and clinical research settings. These attributes have made it a preferred choice for researchers investigating the efficacy and safety of new drugs targeting dopamine pathways.

Beyond its applications in neurology, Homovanillic Acid-13C6 has shown promise in other areas of medical research. For example, it has been used to study the role of dopamine metabolism in mood disorders such as depression and anxiety. By tracking the uptake and breakdown of this labeled compound, researchers can gain insights into the underlying mechanisms driving these conditions, potentially leading to the development of more effective treatments.

The synthesis of Homovanillic Acid-13C6 presents unique challenges due to the need for precise isotopic labeling. However, recent breakthroughs in synthetic chemistry have made it more feasible to produce this compound on an industrial scale. These advancements have not only reduced costs but also improved the quality and consistency of the final product, making it more accessible to researchers worldwide.

The regulatory landscape for compounds like Homovanillic Acid-13C6 is continually evolving to keep pace with scientific advancements. Regulatory bodies such as the FDA and EMA have established guidelines for the use of isotopically labeled compounds in medical research, ensuring that they are safe and effective for their intended purposes. Compliance with these regulations is essential for researchers seeking to utilize these compounds in clinical trials and therapeutic applications.

In conclusion, Homovanillic Acid-13C6 (CAS No. 1185016-45-8) represents a significant advancement in biochemical research and pharmaceutical development. Its unique properties and versatile applications make it an indispensable tool for studying neurological disorders, mood disorders, and other conditions related to dopamine metabolism. As research continues to uncover new insights into its potential uses, this compound is poised to play an even greater role in advancing medical science.

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