| Size | Price | Stock | Qty |
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| 2mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| Other Sizes |
| Targets |
Omeprazole sulfone does not have a direct pharmacological target. It is an inactive metabolite of omeprazole. Its formation is a key step in the metabolism and elimination of the parent drug. It is often used as a marker for CYP3A4 activity, as its formation is dependent on this enzyme.
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| ln Vitro |
In vitro, Omeprazole sulfone is characterized by its formation from omeprazole. It is used as a probe to study CYP3A4 activity in liver microsomes or recombinant enzyme systems. Its concentration is measured by HPLC or LC-MS/MS. It does not exhibit the proton pump inhibitory activity of its parent compound.
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| ln Vivo |
In vivo, Omeprazole sulfone is the primary metabolite of omeprazole found in plasma and urine. Its levels can be used to assess the metabolic activity of CYP3A4 in patients. As an inactive metabolite, it does not contribute to the therapeutic effects of omeprazole but is important for its clearance from the body.
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| Enzyme Assay |
The in vitro enzyme assay for Omeprazole sulfone involves measuring the formation of the metabolite from omeprazole by CYP3A4. Liver microsomes or recombinant CYP3A4 are incubated with omeprazole and NADPH. The reaction is stopped, and the amount of omeprazole sulfone produced is quantified by HPLC or LC-MS/MS. The rate of formation is used as a measure of enzyme activity.
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| Cell Assay |
In vitro cell culture studies are not typically performed for Omeprazole sulfone, as it is a metabolite. However, its effects on cell lines can be studied to assess its potential toxicity or off-target effects. It is primarily used as an analytical standard in metabolic studies rather than as a tool in cell-based assays.
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| Animal Protocol |
In vivo animal experiments for Omeprazole sulfone are not typically performed, as it is a metabolite. However, pharmacokinetic studies in animals often measure its levels to understand the metabolism and disposition of omeprazole. Its concentration in plasma and tissues can be measured to assess the extent of CYP3A4-mediated metabolism.
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
Omeprazole sulfone is a known human metabolite of esomeprazole and omeprazole. Omeprazole sulfone has a molecular formula of C17H19N3O4S and a molecular weight of 361.42 g/mol. It is a solid compound that is soluble in DMSO (10 mM). It is typically stored as a powder at -20°C for long-term stability. Its stability is maintained under recommended storage conditions. It is a white to off-white solid. |
| Toxicity/Toxicokinetics |
Toxicological data for Omeprazole sulfone are limited, as it is a metabolite. It is generally considered to have low toxicity, as it is a natural product of drug metabolism. However, as a research compound, it is not intended for human use, and comprehensive toxicity studies are not available. Standard safety precautions should be followed.
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| Additional Infomation |
Omeprazole sulfone is a sulfoxide that belongs to the benzimidazole class of compounds.
Omeprazole sulfone is a research compound and an analytical standard. It has no clinical approval as a therapeutic agent. It is used as a reference standard in analytical chemistry and pharmacokinetic studies to quantify omeprazole metabolism. It is also used as a marker for CYP3A4 activity in drug metabolism research. |
| Molecular Formula |
C17H19N3O4S
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|---|---|
| Molecular Weight |
361.41546
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| Exact Mass |
361.109
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| CAS # |
88546-55-8
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| Related CAS # |
Omeprazole;73590-58-6;Omeprazole sulfone-d3;Omeprazole sulfone-13C,d3;1261393-28-5
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| PubChem CID |
145900
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
599.3±60.0 °C at 760 mmHg
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| Melting Point |
80-82ºC
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| Flash Point |
316.2±32.9 °C
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| Vapour Pressure |
0.0±1.7 mmHg at 25°C
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| Index of Refraction |
1.609
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| LogP |
3.87
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
25
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| Complexity |
553
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
IXEQEYRTSRFZEO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
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| Chemical Name |
6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl]-1H-benzimidazole
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~250 mg/mL (~691.72 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.76 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (5.76 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7669 mL | 13.8343 mL | 27.6686 mL | |
| 5 mM | 0.5534 mL | 2.7669 mL | 5.5337 mL | |
| 10 mM | 0.2767 mL | 1.3834 mL | 2.7669 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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