Cas no 383160-11-0 (7-Methyl-3-methyluric Acid-d3)

7-Methyl-3-methyluric Acid-d3 is a deuterated analog of 7-methyl-3-methyluric acid, where three hydrogen atoms are replaced with deuterium. This stable isotope-labeled compound is primarily used as an internal standard in quantitative mass spectrometry, ensuring high precision and accuracy in analytical applications such as metabolomics and pharmacokinetic studies. The incorporation of deuterium minimizes interference from endogenous compounds, improving signal specificity and reducing matrix effects. Its chemical stability and isotopic purity make it a reliable reference material for researchers investigating purine metabolism or developing assays for related biomarkers. The compound is particularly valuable in LC-MS/MS workflows, where consistent retention time and fragmentation patterns are critical for reproducible results.
7-Methyl-3-methyluric Acid-d3 structure
7-Methyl-3-methyluric Acid-d3 structure
Product Name:7-Methyl-3-methyluric Acid-d3
CAS No:383160-11-0
MF:C7H8N4O3
MW:199.18190574646
CID:923344
PubChem ID:71433931
Update Time:2025-05-25

7-Methyl-3-methyluric Acid-d3 Chemical and Physical Properties

Names and Identifiers

    • 7-Methyl-3-(trideuteromethyl)uric Acid
    • 7-Methyl-3-methyluric Acid-d3
    • 7-Methyl-3-(methyl-d3)uric Acid
    • 7-Methyl-3-methyluri
    • 3,7-Dimethyluric Acid-d3
    • 8-Hydroxytheobromine-d3
    • Ba 2754-d3
    • Oxytheobromine-d3
    • DB-229645
    • 7-methyl-3-(trideuteriomethyl)-9H-purine-2,6,8-trione
    • 7-Methyl-3-(~2~H_3_)methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
    • HY-132800S
    • DTXSID70849584
    • AKOS030243254
    • 3-(?H?)methyl-7-methyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione
    • 383160-11-0
    • CS-0203644
    • Inchi: 1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)/i2D3
    • InChI Key: HMLZLHKHNBLLJD-BMSJAHLVSA-N
    • SMILES: O=C1NC2=C(C(NC(N2C([2H])([2H])[2H])=O)=O)N1C

Computed Properties

  • Exact Mass: 199.07800
  • Monoisotopic Mass: 199.07847037g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 386
  • 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: -1.3
  • Topological Polar Surface Area: 81.8?2

Experimental Properties

  • Melting Point: >300°C
  • Stability/Shelf Life: Store in Freezer
  • PSA: 92.65000
  • LogP: -1.74640

7-Methyl-3-methyluric Acid-d3 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M330900-2.5mg
7-Methyl-3-methyluric Acid-d3
383160-11-0
2.5mg
$ 176.00 2023-09-07
TRC
M330900-25mg
7-Methyl-3-methyluric Acid-d3
383160-11-0
25mg
$ 1355.00 2023-09-07

Additional information on 7-Methyl-3-methyluric Acid-d3

Comprehensive Analysis of 7-Methyl-3-methyluric Acid-d3 (CAS No. 383160-11-0): Applications and Research Insights

7-Methyl-3-methyluric Acid-d3, a deuterated analog of the naturally occurring methylxanthine metabolite, has garnered significant attention in pharmaceutical and biochemical research due to its unique isotopic labeling. With the CAS registry number 383160-11-0, this compound serves as a critical stable isotope-labeled internal standard in mass spectrometry-based assays, particularly for quantifying endogenous metabolites in complex biological matrices. Its deuterium substitution at three positions (-d3) enhances analytical precision by minimizing isotopic interference, making it indispensable in metabolomics studies and drug metabolism research.

Recent trends in scientific literature highlight growing interest in deuterated compounds like 7-Methyl-3-methyluric Acid-d3, driven by advancements in precision medicine and personalized therapeutics. Researchers frequently search for "deuterated uric acid analogs" or "isotope-labeled biomarkers for metabolic disorders," reflecting its relevance in studying purine metabolism dysregulation linked to conditions such as gout and hyperuricemia. The compound's stability under physiological conditions also supports investigations into caffeine metabolism pathways, a hot topic in nutritional science and sports performance studies.

From a synthetic chemistry perspective, CAS 383160-11-0 exemplifies the strategic use of deuterium labeling to improve pharmacokinetic profiling. Analytical chemists often inquire about "HPLC-MS methods for deuterated metabolites" or "validation protocols for isotope dilution assays," underscoring its role in regulatory-compliant bioanalysis. The compound's molecular structure (C8H5D3N4O3) enables sensitive detection at sub-nanogram levels, addressing the demand for high-sensitivity biomarker quantification in early disease detection research.

Emerging applications of 7-Methyl-3-methyluric Acid-d3 extend to environmental toxicology, where it aids in tracing xenobiotic transformation products in wastewater systems. This aligns with increasing public concern about "pharmaceutical pollutants in ecosystems" – a trending search phrase among environmental scientists. Furthermore, its utility in in vitro enzyme inhibition assays supports drug discovery targeting xanthine oxidoreductase, a key enzyme in reactive oxygen species production.

The commercial availability of 7-Methyl-3-methyluric Acid-d3 (383160-11-0) through specialty chemical suppliers meets the needs of contract research organizations (CROs) and academic laboratories focusing on isotope-assisted metabolomics. Quality control parameters such as isotopic purity (>98% d3) and chemical stability data are frequently requested by purchasers, reflecting rigorous industry standards. Storage recommendations (-20°C under inert atmosphere) and solubility profiles (DMSO/PBS) are equally critical for experimental reproducibility.

Future research directions may explore 7-Methyl-3-methyluric Acid-d3's potential in multiplexed biomarker panels for metabolic syndrome diagnostics, leveraging its distinct mass shift in high-resolution mass spectrometry. The compound's compatibility with LC-MS/MS platforms from major instrument manufacturers (e.g., Sciex, Thermo, Waters) ensures broad applicability across research settings. As interest grows in stable isotope-resolved metabolomics (SIRM), this deuterated standard will continue enabling breakthroughs in systems biology and translational medicine.

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