| Size | Price | |
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| Other Sizes |
| Targets |
Rabeprazole Sulfide does not directly inhibit the gastric H+/K+ ATPase (the proton pump) like its parent compound rabeprazole. It is an inactive metabolite. However, it can be converted back to the active sulfenamide form under acidic conditions, which then inhibits the proton pump. Its primary relevance is as a metabolite in the pharmacokinetics of rabeprazole.
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|---|---|
| ln Vitro |
In vitro, Rabeprazole Sulfide is not active as a proton pump inhibitor. It is a metabolite that can be converted to the active form. Its chemical properties are studied to understand the metabolism and stability of rabeprazole.
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| ln Vivo |
In vivo, Rabeprazole Sulfide is the major metabolite of rabeprazole found in plasma and urine. It is formed by the reduction of rabeprazole, primarily in the liver. It is excreted in the urine.
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| Enzyme Assay |
The in vitro activity of Rabeprazole Sulfide is not typically assessed in functional assays, as it is an inactive metabolite. Its chemical properties, such as stability and conversion to the active form, can be studied in vitro under acidic conditions.
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| Cell Assay |
Rabeprazole Sulfide is not used in cellular assays as a drug. Its formation and metabolism are studied in liver microsomes or hepatocytes to understand the metabolic pathway of rabeprazole. Cells are treated with rabeprazole, and the formation of Rabeprazole Sulfide is measured by HPLC or mass spectrometry.
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| Animal Protocol |
In vivo, Rabeprazole Sulfide is formed after the administration of rabeprazole. Its levels in plasma and urine are measured to assess the pharmacokinetics of rabeprazole. Animal studies are conducted to understand the metabolism and excretion of rabeprazole.
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
The known metabolites of rabeprazole (rabeprazole thioether) include rabeprazole and desmethylrabeprazole thioether. Rabeprazole Sulfide is a metabolite of rabeprazole. Its pharmacokinetic properties are linked to the parent drug. It is formed in the liver and excreted in the urine. |
| Toxicity/Toxicokinetics |
Rabeprazole Sulfide is not a drug and does not have direct pharmacological activity. Its toxicity is related to the parent drug rabeprazole. Rabeprazole is generally well-tolerated, with common side effects including headache, diarrhea, and abdominal pain.
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| References |
[4]. Drug Dev Ind Pharm. 2016 Apr 11:1-9. [5]. Application of a liquid chromatographic/tandem mass spectrometric method to a urinary excretion study of rabeprazole and two of its metabolites in healthy human urine. J Chromatogr B Analyt Technol Biomed Life Sci. 2015 Apr 15;988:75-80. |
| Additional Infomation |
Rabeprazole Sulfide is a metabolite of rabeprazole, a widely used proton pump inhibitor. It is not a drug itself but is important for understanding the pharmacokinetics of rabeprazole. It is a research compound used in studies of drug metabolism.
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| Molecular Formula |
C18H21N3O2S
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|---|---|
| Molecular Weight |
343.4432
|
| Exact Mass |
343.135
|
| CAS # |
117977-21-6
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| Related CAS # |
Rabeprazole;117976-89-3;Rabeprazole sodium;117976-90-6
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| PubChem CID |
9949996
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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 |
546.4±60.0 °C at 760 mmHg
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| Melting Point |
120.5-121.5ºC
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| Flash Point |
284.2±32.9 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.636
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| LogP |
3.53
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
24
|
| Complexity |
374
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
0
|
| InChi Key |
BSXAHDOWMOSVAP-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C18H21N3O2S/c1-13-16(19-9-8-17(13)23-11-5-10-22-2)12-24-18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
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| Chemical Name |
2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfanyl]-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 : ~100 mg/mL (~291.17 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.28 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 25.0 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: ≥ 2.5 mg/mL (7.28 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 25.0 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (7.28 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9117 mL | 14.5586 mL | 29.1172 mL | |
| 5 mM | 0.5823 mL | 2.9117 mL | 5.8234 mL | |
| 10 mM | 0.2912 mL | 1.4559 mL | 2.9117 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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