Cas no 1346600-70-1 (4-Hydroxy Omeprazole Sulfone)

4-Hydroxy Omeprazole Sulfone is a key metabolite of omeprazole, a proton pump inhibitor used in gastric acid-related disorders. This compound is primarily studied for its role in pharmacokinetic and metabolic research, providing insights into omeprazole's biotransformation pathways. Its structural characteristics make it valuable for analytical reference standards in HPLC and LC-MS assays, ensuring accurate quantification of omeprazole and its derivatives in biological matrices. The sulfone moiety enhances stability, facilitating reliable experimental reproducibility. Researchers utilize 4-Hydroxy Omeprazole Sulfone to investigate drug-drug interactions, enzyme kinetics (particularly CYP2C19), and metabolic profiling, supporting advancements in precision medicine and pharmacogenomics.
4-Hydroxy Omeprazole Sulfone structure
4-Hydroxy Omeprazole Sulfone structure
Product Name:4-Hydroxy Omeprazole Sulfone
CAS No:1346600-70-1
MF:C16H17N3O4S
MW:347.388882398605
CID:1059855
PubChem ID:71749232
Update Time:2025-05-20

4-Hydroxy Omeprazole Sulfone Chemical and Physical Properties

Names and Identifiers

    • 4-Hydroxy Omeprazole Sulfone
    • 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-3,5-dimethyl-1H-pyridin-4-one
    • 4-Pyridinol, 2-[[(6-methoxy-1H-benzimidazol-2-yl)sulfonyl]methyl]-3,5-dimethyl-; 2-[(5-Methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-3,5-dimethyl-pyridin-4-ol; 4-Hydroxy Omeprazole Sulfon
    • 2-[(6-Methoxy-1H-benzimidazole-2-sulfonyl)methyl]-3,5-dimethylpyridin-4(1H)-one
    • DTXSID80857812
    • 1346600-70-1
    • Inchi： 1S/C16H17N3O4S/c1-9-7-17-14(10(2)15(9)20)8-24(21,22)16-18-12-5-4-11(23-3)6-13(12)19-16/h4-7H,8H2,1-3H3,(H,17,20)(H,18,19)
    • InChI Key： HWHFLYQGCHSJID-UHFFFAOYSA-N
    • SMILES： S(C1=NC2C=CC(=CC=2N1)OC)(CC1=C(C)C(C(C)=CN1)=O)(=O)=O

Computed Properties

  • Exact Mass: 347.09400
  • Monoisotopic Mass: 347.09397721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 693
  • 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: 1.5
  • Topological Polar Surface Area: 110?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 590.4±60.0 °C at 760 mmHg
  • Flash Point: 310.9±32.9 °C
  • PSA: 113.29000
  • LogP: 2.93130
  • Vapor Pressure: 0.0±1.7 mmHg at 25°C

4-Hydroxy Omeprazole Sulfone Security Information

4-Hydroxy Omeprazole Sulfone Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
H948940-5mg
4-Hydroxy Omeprazole Sulfone
 1346600-70-1
5mg
 $ 265.00 2023-09-07
TRC
H948940-50mg
4-Hydroxy Omeprazole Sulfone
 1346600-70-1
50mg
 $ 2070.00 2023-09-07

4-Hydroxy Omeprazole Sulfone Related Literature

Additional information on 4-Hydroxy Omeprazole Sulfone

Comprehensive Overview of 4-Hydroxy Omeprazole Sulfone (CAS No. 1346600-70-1): Properties, Applications, and Research Insights

4-Hydroxy Omeprazole Sulfone (CAS No. 1346600-70-1) is a significant metabolite of Omeprazole, a well-known proton pump inhibitor (PPI) widely used in the treatment of gastrointestinal disorders. This compound has garnered attention in pharmaceutical research due to its unique biochemical properties and potential therapeutic implications. The sulfone derivative of Omeprazole plays a crucial role in understanding drug metabolism, efficacy, and safety profiles, making it a subject of interest for researchers and clinicians alike.

The chemical structure of 4-Hydroxy Omeprazole Sulfone features a hydroxyl group at the 4-position of the pyridine ring, coupled with a sulfone moiety, which enhances its stability and reactivity. This structural modification is pivotal in studying the pharmacokinetics and pharmacodynamics of Omeprazole and its analogs. Recent studies have explored its role in drug-drug interactions and enzyme inhibition, particularly in the context of CYP450 metabolism, a hot topic in personalized medicine and precision dosing.

In the realm of pharmaceutical analysis, 4-Hydroxy Omeprazole Sulfone serves as a reference standard for HPLC and LC-MS methodologies. Its detection and quantification are critical for bioequivalence studies and generic drug development, aligning with the growing demand for cost-effective therapeutics. Researchers frequently search for "how to synthesize 4-Hydroxy Omeprazole Sulfone" or "analytical methods for Omeprazole metabolites," reflecting its relevance in quality control and regulatory compliance.

Beyond its analytical applications, 4-Hydroxy Omeprazole Sulfone is investigated for its potential anti-inflammatory and antioxidant effects. Emerging trends in gut microbiome research have sparked interest in how PPIs and their metabolites influence microbial diversity, a topic frequently queried in AI-driven literature searches. This compound's interplay with oxidative stress pathways also positions it as a candidate for exploring novel neuroprotective strategies, addressing current health concerns like aging-related disorders.

The synthesis of 4-Hydroxy Omeprazole Sulfone typically involves oxidation reactions of Omeprazole using peroxides or enzymatic catalysis, a process optimized for high yield and purity. Industrial-scale production emphasizes green chemistry principles, responding to the global push for sustainable pharmaceutical manufacturing. Queries such as "eco-friendly synthesis of drug metabolites" highlight this alignment with environmental consciousness.

In conclusion, 4-Hydroxy Omeprazole Sulfone (CAS No. 1346600-70-1) exemplifies the intersection of drug metabolism, analytical chemistry, and therapeutic innovation. Its study addresses pressing questions in drug safety, personalized treatment, and sustainable drug design, ensuring its continued relevance in both academic and industrial settings. As research evolves, this compound will likely remain a cornerstone in advancing gastrointestinal pharmacology and beyond.

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