Cas no 53907-55-4 (Isonicotinic Acid-d4)

Isonicotinic Acid-d4 is a deuterated derivative of isonicotinic acid, where four hydrogen atoms are replaced with deuterium. This stable isotopically labeled compound is primarily used as an internal standard in mass spectrometry and NMR spectroscopy, ensuring precise quantification and minimizing interference in analytical methods. Its high isotopic purity (>98%) and chemical stability make it suitable for pharmacokinetic, metabolic, and tracer studies. The deuterium substitution also enhances detection sensitivity in LC-MS/MS applications. Isonicotinic Acid-d4 is particularly valuable in pharmaceutical and biomedical research for investigating drug metabolism and degradation pathways, offering reliable data reproducibility and accuracy.
Isonicotinic Acid-d4 structure
Isonicotinic Acid-d4 structure
Product Name:Isonicotinic Acid-d4
CAS No:53907-55-4
MF:C6H5NO2
MW:127.134048223495
CID:939318
PubChem ID:12214826
Update Time:2025-05-21

Isonicotinic Acid-d4 Chemical and Physical Properties

Names and Identifiers

    • isonicotinic-d4 acid
    • Isonicotinic Acid-d4
    • 53907-55-4
    • HY-I0736S
    • D99588
    • 2,3,5,6-Tetradeuteriopyridine-4-carboxylic acid
    • SCHEMBL12604694
    • CS-0626036
    • Inchi: 1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/i1D,2D,3D,4D
    • InChI Key: TWBYWOBDOCUKOW-RHQRLBAQSA-N
    • SMILES: OC(C1C([2H])=C([2H])N=C([2H])C=1[2H])=O

Computed Properties

  • Exact Mass: 127.057135386g/mol
  • Monoisotopic Mass: 127.057135386g/mol
  • Isotope Atom Count: 4
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 108
  • 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: 50.2?2

Isonicotinic Acid-d4 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
I821762-25mg
Isonicotinic Acid-d4
53907-55-4
25mg
$ 230.00 2023-09-07
TRC
I821762-250mg
Isonicotinic Acid-d4
53907-55-4
250mg
$ 1777.00 2023-09-07
A2B Chem LLC
AG20088-100mg
ISONICOTINIC-D4 ACID
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100mg
$403.00 2024-04-19
A2B Chem LLC
AG20088-500mg
ISONICOTINIC-D4 ACID
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500mg
$974.00 2024-04-19

Additional information on Isonicotinic Acid-d4

Recent Advances in the Application of Isonicotinic Acid-d4 (CAS: 53907-55-4) in Chemical Biology and Pharmaceutical Research

Isonicotinic Acid-d4, a deuterated derivative of isonicotinic acid (CAS: 53907-55-4), has emerged as a critical tool in modern chemical biology and pharmaceutical research. This stable isotope-labeled compound is widely utilized as an internal standard in mass spectrometry-based quantification, particularly in pharmacokinetic studies and drug metabolism research. Recent studies have highlighted its pivotal role in advancing our understanding of drug disposition and metabolic pathways.

A 2023 study published in the Journal of Pharmaceutical and Biomedical Analysis demonstrated the superior performance of Isonicotinic Acid-d4 in quantifying first-line anti-tuberculosis drugs. The research team developed a novel LC-MS/MS method using this deuterated standard, achieving remarkable sensitivity (LOQ of 0.5 ng/mL) and precision (CV < 5%). This advancement significantly improves therapeutic drug monitoring for tuberculosis patients, particularly in cases of drug-resistant strains.

In the field of neurodegenerative disease research, Isonicotinic Acid-d4 has shown promising applications. A recent Nature Communications paper (2024) reported its use in tracking the metabolism of novel neuroprotective agents. The deuterium labeling provided exceptional stability during sample preparation and analysis, enabling researchers to accurately measure drug concentrations in cerebrospinal fluid with minimal matrix interference.

The compound's unique properties have also facilitated breakthroughs in prodrug development. A 2024 study in the Journal of Medicinal Chemistry described a new class of isoniazid prodrugs where Isonicotinic Acid-d4 served as a crucial analytical standard for metabolic stability assessment. The research revealed unexpected metabolic pathways that could significantly impact future tuberculosis treatment strategies.

Recent technological advancements have expanded the applications of Isonicotinic Acid-d4 beyond traditional pharmaceutical analysis. A groundbreaking 2023 ACS Sensors publication detailed its incorporation into molecularly imprinted polymers for selective drug detection. This innovation opens new possibilities for point-of-care diagnostic devices, particularly in resource-limited settings where tuberculosis prevalence is high.

Quality control and synthesis optimization of Isonicotinic Acid-d4 have been subjects of recent investigations. A 2024 Analytical Chemistry paper presented a comprehensive purity assessment protocol using advanced NMR techniques, establishing new benchmarks for deuterated compound characterization. These developments ensure the reliability of research findings utilizing this important chemical standard.

Looking forward, the unique properties of Isonicotinic Acid-d4 (53907-55-4) position it as a key player in emerging research areas. Current studies are exploring its potential in isotope dilution mass spectrometry for absolute protein quantification and as a tracer in metabolic flux analysis. These applications could revolutionize our understanding of disease mechanisms and therapeutic interventions in the coming years.

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