Cas no 116975-14-5 (Nicotinic Acid-d1)

Nicotinic Acid-d1 is a deuterated form of nicotinic acid (niacin), where one hydrogen atom is replaced by deuterium. This stable isotopically labeled compound is primarily used as an internal standard in quantitative mass spectrometry, ensuring high accuracy and reproducibility in analytical applications. Its deuterium incorporation minimizes interference with non-deuterated analytes, enhancing precision in metabolic and pharmacokinetic studies. Nicotinic Acid-d1 is valuable in research involving vitamin B3 metabolism, lipid regulation, and drug development. The compound’s chemical stability and isotopic purity make it suitable for tracer studies and LC-MS/MS methodologies, providing reliable data for scientific investigations.
Nicotinic Acid-d1 structure
Nicotinic Acid-d1 structure
Product Name:Nicotinic Acid-d1
CAS No:116975-14-5
MF:C6H5NO2
MW:124.115563154221
CID:895340
PubChem ID:46782473
Update Time:2025-06-11

Nicotinic Acid-d1 Chemical and Physical Properties

Names and Identifiers

    • Nicotinic Acid-d1
    • 4-deuteriopyridine-3-carboxylic acid
    • Akotin-d1
    • Niacor-d1
    • Niacin-d1
    • Pelonin-d1
    • Nicacid-d1
    • Niaspan-d1
    • WaMpocap-d1
    • Apelagrin-d1
    • VitaMin B3-d1
    • VitaMin B5-d1
    • CS-0202630
    • 116975-14-5
    • (4-~2~H)Pyridine-3-carboxylic acid
    • SCHEMBL12572564
    • DTXSID80676065
    • J-003485
    • HY-B0143S1
    • Nicotinic-4-d acid (6CI)
    • Inchi: 1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i2D
    • InChI Key: PVNIIMVLHYAWGP-VMNATFBRSA-N
    • SMILES: OC(C1C=NC=CC=1[2H])=O

Computed Properties

  • Exact Mass: 124.03800
  • Monoisotopic Mass: 124.038305148g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 114
  • 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

Experimental Properties

  • Color/Form: NA
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 292.5±13.0 °C at 760 mmHg
  • PSA: 50.19000
  • LogP: 0.77980

Nicotinic Acid-d1 Security Information

Nicotinic Acid-d1 Pricemore >>

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Nicotinic Acid-d1 Production Method

Nicotinic Acid-d1 Related Literature

Additional information on Nicotinic Acid-d1

Comprehensive Guide to Nicotinic Acid-d1 (CAS 116975-14-5): Applications, Benefits, and Research Insights

Nicotinic Acid-d1, a deuterated form of nicotinic acid, is a specialized compound widely utilized in pharmaceutical research, metabolic studies, and analytical chemistry. With the CAS registry number 116975-14-5, this stable isotope-labeled variant offers unique advantages in tracing metabolic pathways and enhancing the precision of quantitative analyses. Researchers and industry professionals increasingly rely on Nicotinic Acid-d1 due to its role in drug development, biomarker discovery, and nutritional science.

The growing interest in deuterated compounds like Nicotinic Acid-d1 aligns with advancements in precision medicine and metabolomics. As scientists explore personalized therapies, the demand for isotopically labeled standards has surged. Nicotinic Acid-d1 serves as a critical tool for LC-MS (liquid chromatography-mass spectrometry) applications, enabling accurate measurements of nicotinic acid levels in biological samples. This capability is pivotal for studies on vitamin B3 deficiency, lipid metabolism, and cardiovascular health—topics frequently searched in academic and medical communities.

One of the most compelling applications of Nicotinic Acid-d1 lies in its use as an internal standard for pharmacokinetic studies. By incorporating deuterium, researchers minimize interference from endogenous compounds, ensuring reliable data in drug absorption and distribution analyses. This feature addresses a common challenge in bioanalytical method validation, a hot topic in regulatory science and FDA submissions. Laboratories worldwide prioritize such standards to comply with Good Laboratory Practice (GLP) guidelines.

Beyond pharmaceuticals, Nicotinic Acid-d1 plays a role in nutritional research. With rising public awareness of gut microbiome interactions and vitamin supplementation, scientists employ this compound to investigate how nicotinic acid derivatives influence microbial communities. Recent studies link vitamin B3 metabolites to inflammatory modulation—a trending subject in functional food development and dietary intervention strategies.

The synthesis of Nicotinic Acid-d1 involves sophisticated isotope enrichment techniques, ensuring high chemical purity and isotopic abundance. Manufacturers adhere to stringent quality control protocols, as even minor impurities can skew research outcomes. This attention to detail resonates with industries focused on traceability and material characterization, key concerns for purchasers evaluating CAS 116975-14-5 suppliers.

Environmental scientists also leverage Nicotinic Acid-d1 in ecotoxicology studies. Its stable isotope properties help track the environmental fate of nicotinic acid derivatives, addressing questions about biodegradation and water pollution—a pressing issue given increasing scrutiny of pharmaceutical residues in ecosystems. Such applications align with global initiatives like the UN Sustainable Development Goals (SDGs), particularly Goal 6 (Clean Water and Sanitation).

For analytical chemists, Nicotinic Acid-d1 exemplifies the convergence of green chemistry and high-throughput screening. Its use reduces the need for repetitive sample preparations, minimizing solvent waste—a priority for labs adopting Agile methodologies and automation. These efficiencies answer frequent search queries about cost-effective analytical workflows and lab sustainability practices.

In the diagnostic realm, Nicotinic Acid-d1-based assays contribute to biomarker validation for conditions like pellagra and hyperlipidemia. As point-of-care testing gains traction, the compound's stability under various storage conditions becomes invaluable. This reliability addresses a pain point in decentralized healthcare systems, where reagent longevity directly impacts diagnostic accuracy in resource-limited settings.

The market for isotope-labeled standards like Nicotinic Acid-d1 reflects broader trends in life sciences investment. Venture capital flows into proteomics and metabolomics platforms have created ripple effects across the supply chain. Procurement specialists often search for batch-to-batch consistency and regulatory documentation—factors that distinguish premium-grade CAS 116975-14-5 products from generic alternatives.

Future directions for Nicotinic Acid-d1 research may explore its potential in neurodegenerative disease models, given emerging links between NAD+ metabolism and conditions like Alzheimer's. Such interdisciplinary connections underscore why this compound remains a high-value research reagent with expanding applications across translational medicine and systems biology.

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