| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
(S)-(+)-N-3-Benzylnirvanol targets human CYP2C19, a cytochrome P450 enzyme involved in the metabolism of various drugs. It acts as an inhibitor, blocking the enzyme's activity. By inhibiting CYP2C19, it can be used to study drug-drug interactions and to modulate the metabolism of CYP2C19 substrates.
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|---|---|
| ln Vitro |
In vitro, (S)-(+)-N-3-Benzylnirvanol is a potent and selective inhibitor of human CYP2C19. It inhibits the metabolism of CYP2C19 substrates, such as omeprazole and S-mephenytoin. Specific IC50 values for CYP2C19 inhibition are not provided in the available sources.
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| ln Vivo |
In vivo activity data for (S)-(+)-N-3-Benzylnirvanol are not extensively detailed in the available sources. As a CYP2C19 inhibitor, it can be used to modulate drug metabolism in vivo and to study drug interactions. Specific in vivo studies are not described.
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| Enzyme Assay |
The in vitro enzyme assay for (S)-(+)-N-3-Benzylnirvanol involves measuring the inhibition of CYP2C19 activity. Human liver microsomes or recombinant CYP2C19 are incubated with a substrate (e.g., S-mephenytoin or omeprazole) in the presence of varying compound concentrations. The formation of metabolites is quantified using HPLC or LC-MS/MS to determine the IC50.
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| Cell Assay |
Cellular assays for (S)-(+)-N-3-Benzylnirvanol are not typically performed, as it is a CYP450 inhibitor used in biochemical assays. It can be used in hepatocyte cultures to study its effects on drug metabolism.
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| Animal Protocol |
In vivo animal studies for (S)-(+)-N-3-Benzylnirvanol are not detailed in the available sources. It can be administered to animals to study its effects on the pharmacokinetics of CYP2C19 substrates.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for (S)-(+)-N-3-Benzylnirvanol are not available in the provided sources. As a CYP2C19 inhibitor, it is used as a tool compound in metabolism studies.
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| Toxicity/Toxicokinetics |
Toxicity data for (S)-(+)-N-3-Benzylnirvanol are not reported in the available sources. As a research compound, it is used in laboratory settings for metabolic studies.
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| Additional Infomation |
(S)-(+)-N-3-Benzylnirvanol is a research tool for studying CYP2C19-mediated drug metabolism and drug-drug interactions. It is available from chemical suppliers for research use only.
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| Molecular Formula |
C18H18N2O2
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|---|---|
| Molecular Weight |
294.34772
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| Exact Mass |
294.137
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| CAS # |
790676-40-3
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| PubChem CID |
40633600
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.19g/cm3
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| Melting Point |
147-150ºC
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| Index of Refraction |
1.593
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| LogP |
3.31
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
22
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| Complexity |
425
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C([C@]1(NC(=O)N(CC2C=CC=CC=2)C1=O)C1C=CC=CC=1)C
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| InChi Key |
ZMZDHUHMXXALFX-SFHVURJKSA-N
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| InChi Code |
InChI=1S/C18H18N2O2/c1-2-18(15-11-7-4-8-12-15)16(21)20(17(22)19-18)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,19,22)/t18-/m0/s1
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| Chemical Name |
(5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 (~339.73 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.49 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 (8.49 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3973 mL | 16.9866 mL | 33.9732 mL | |
| 5 mM | 0.6795 mL | 3.3973 mL | 6.7946 mL | |
| 10 mM | 0.3397 mL | 1.6987 mL | 3.3973 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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