Cas no 103877-02-7 (5-O-Desmethyl Omeprazole Sulfide)
5-O-Desmethyl Omeprazole Sulfide Chemical and Physical Properties
Names and Identifiers
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- 5-O-Desmethyl Omeprazole Sulfide
- 2-{[(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfanyl}-1H-benzi midazol-5-ol
- 2-[[(4-Methoxy-3,5-diMethyl-2-pyridinyl)Methyl]thio]-1H-benziMidazol-6-ol
- 5-Hydroxy-2-[[(4-Methoxy-3,5-diMethyl-2-pyridinyl)Methyl]thio]-1H-benziMidazole
- 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-3H-benzimidazol-5-ol
- CS-0166391
- 2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)thio)-1H-benzo[d]imidazol-5-ol? (Esomeprazole Impurity
- J-001053
- AKOS032958217
- SCHEMBL7851296
- 5-O-DesmethylOmeprazole-d3Sulfide
- 103877-02-7
- 2-[(4-Methoxy-3,5-dimethyl-2-pyridyl)methylsulfanyl]-1h-benzimidazol-5-ol
-
- Inchi: 1S/C16H17N3O2S/c1-9-7-17-14(10(2)15(9)21-3)8-22-16-18-12-5-4-11(20)6-13(12)19-16/h4-7,20H,8H2,1-3H3,(H,18,19)
- InChI Key: QAPIOBRWGYAHRI-UHFFFAOYSA-N
- SMILES: S(C1=NC2C=CC(=CC=2N1)O)CC1C(C)=C(C(C)=CN=1)OC
Computed Properties
- Exact Mass: 315.10400
- Monoisotopic Mass: 315.10414797g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 373
- 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: 3.2
- Topological Polar Surface Area: 96.3?2
Experimental Properties
- Density: 1.36±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: 167-169°C
- Solubility: Almost insoluble (0.041 g/l) (25 o C),
- PSA: 96.33000
- LogP: 3.58120
5-O-Desmethyl Omeprazole Sulfide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D292135-1mg |
5-O-Desmethyl Omeprazole Sulfide |
103877-02-7 | 1mg |
$ 230.00 | 2023-09-08 | ||
| TRC | D292135-2mg |
5-O-Desmethyl Omeprazole Sulfide |
103877-02-7 | 2mg |
$391.00 | 2023-05-18 | ||
| TRC | D292135-5mg |
5-O-Desmethyl Omeprazole Sulfide |
103877-02-7 | 5mg |
$ 1005.00 | 2023-09-08 | ||
| TRC | D292135-10mg |
5-O-Desmethyl Omeprazole Sulfide |
103877-02-7 | 10mg |
$1602.00 | 2023-05-18 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-207048-1 mg |
5-O-Desmethyl Omeprazole Sulfide, |
103877-02-7 | 98% | 1mg |
¥1,978.00 | 2023-07-11 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-207048-1mg |
5-O-Desmethyl Omeprazole Sulfide, |
103877-02-7 | 98% | 1mg |
¥1978.00 | 2023-09-05 | |
| A2B Chem LLC | AD69128-1mg |
5-O-Desmethyl Omeprazole Sulfide |
103877-02-7 | 98% | 1mg |
$755.00 | 2024-04-20 | |
| A2B Chem LLC | AD69128-5mg |
5-O-Desmethyl Omeprazole Sulfide |
103877-02-7 | 5mg |
$1025.00 | 2024-01-05 |
5-O-Desmethyl Omeprazole Sulfide Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
Additional information on 5-O-Desmethyl Omeprazole Sulfide
Introduction to 5-O-Desmethyl Omeprazole Sulfide (CAS No. 103877-02-7)
5-O-Desmethyl Omeprazole Sulfide, identified by the Chemical Abstracts Service Number (CAS No.) 103877-02-7, is a significant metabolite of the widely prescribed proton pump inhibitor (PPI), omeprazole. This compound has garnered considerable attention in the field of pharmaceutical chemistry and pharmacodynamics due to its role in drug metabolism and potential therapeutic applications. Understanding its chemical structure, pharmacokinetic behavior, and emerging research applications is essential for both clinicians and researchers involved in drug development and personalized medicine.
The chemical structure of 5-O-Desmethyl Omeprazole Sulfide is derived from omeprazole through enzymatic hydroxylation and subsequent sulfidation processes. As a metabolite, it reflects the complex metabolic pathways that govern the bioavailability and clearance of omeprazole in vivo. Omeprazole, a benzimidazole derivative, is primarily metabolized by the cytochrome P450 enzyme system, particularly CYP2C19, which converts it into various active and inactive metabolites. Among these, 5-O-Desmethyl Omeprazole Sulfide stands out due to its stability and prolonged presence in biological matrices, making it a valuable marker for assessing drug metabolism and efficacy.
Recent advancements in metabolomics have highlighted the importance of 5-O-Desmethyl Omeprazole Sulfide as a biomarker for evaluating the metabolic health of patients receiving omeprazole therapy. Studies have demonstrated that variations in the levels of this metabolite can correlate with differences in drug response and side effects, particularly in patients with impaired liver function or those taking concomitant medications that affect CYP450 activity. This insight has paved the way for more personalized dosing regimens and improved patient monitoring strategies.
The pharmacological profile of 5-O-Desmethyl Omeprazole Sulfide has also been a subject of interest in recent research. While it exhibits minimal acid-reducing activity compared to its parent compound, omeprazole, studies suggest that it may still contribute to the overall therapeutic effect through interactions with other biological targets. For instance, some investigations have explored its potential role in modulating inflammatory pathways and gastrointestinal motility, which could have implications for treating conditions beyond acid reflux disease.
Emerging research in computational chemistry and molecular modeling has further illuminated the structural features of 5-O-Desmethyl Omeprazole Sulfide that influence its pharmacokinetic properties. These studies have identified key residues responsible for its metabolic stability and binding affinity to biological targets, providing valuable insights for drug design and optimization. By leveraging these findings, researchers aim to develop novel PPIs with enhanced efficacy, reduced side effects, and improved patient compliance.
The synthesis of 5-O-Desmethyl Omeprazole Sulfide remains a challenging yet fascinating area of pharmaceutical chemistry. Researchers have developed various synthetic routes that mimic the enzymatic pathways involved in its formation, allowing for scalable production and structural modifications. These synthetic strategies not only facilitate the production of reference standards for analytical purposes but also enable the exploration of analogs with tailored pharmacological properties.
In clinical settings, the detection of 5-O-Desmethyl Omeprazole Sulfide has been integrated into diagnostic assays for monitoring therapeutic response and identifying potential drug-drug interactions. High-performance liquid chromatography (HPLC) coupled with mass spectrometry (MS) is a commonly employed technique for its accurate quantification in biological samples. Such assays are crucial for ensuring optimal therapeutic outcomes and minimizing adverse effects associated with omeprazole therapy.
The future direction of research on 5-O-Desmethyl Omeprazole Sulfide is likely to focus on expanding its therapeutic applications beyond acid suppression. Preliminary studies have suggested that this metabolite may possess anti-inflammatory and cytoprotective properties, which could be exploited for treating gastrointestinal disorders such as erosive esophagitis and gastric ulcers. Additionally, investigations into its potential role in cancer chemoprevention are underway, given omeprazole's known chemopreventive effects against gastric malignancies.
In conclusion, 5-O-Desmethyl Omeprazole Sulfide (CAS No. 103877-02-7) is a multifaceted compound with significant implications in pharmaceutical research and clinical practice. Its role as a metabolic marker, along with its emerging pharmacological properties, underscores the importance of continued investigation into this compound's mechanisms of action and therapeutic potential. As our understanding of drug metabolism evolves, so too will the applications and benefits derived from studying such metabolites as 5-O-Desmethyl Omeprazole Sulfide.
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