| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
| Targets |
The compound targets the antigastrin receptor as the major metabolite of SC 15396, which is a gastric secretion inhibitor. Derivatives of 2-Phenyl-2-(2-pyridyl)acetonitrile have shown potential as broad-spectrum anticonvulsants, derived from the cardioactive drug Disopyramide.
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|---|---|
| ln Vitro |
No specific in vitro activity data are available for 2-Phenyl-2-(2-pyridyl)acetonitrile itself. However, its derivatives have demonstrated potent activity in preclinical models of epilepsy. As a drug metabolite, it is primarily studied for its role in the metabolism of SC 15396.
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| ln Vivo |
No specific in vivo activity data are available for 2-Phenyl-2-(2-pyridyl)acetonitrile. Its derivatives have exhibited potent activity in preclinical models of epilepsy with a significantly improved cardiac safety profile. The compound is characterized as a major metabolite of SC 15396 in rat liver homogenate.
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| Enzyme Assay |
In vitro assays for studying 2-Phenyl-2-(2-pyridyl)acetonitrile typically involve its identification and quantification as a metabolite. The compound is produced by incubating SC 15396 with the supernatant fraction of rat liver homogenate. Detection and quantification are performed using analytical techniques such as HPLC or LC-MS.
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| Cell Assay |
For in vitro cell assays, 2-Phenyl-2-(2-pyridyl)acetonitrile is not typically used as a direct treatment. It is studied as a metabolite in liver homogenate fractions. Cell-based assays may be employed to study the metabolic pathway of SC 15396 and the formation of this principal metabolite.
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| Animal Protocol |
For in vivo animal studies, 2-Phenyl-2-(2-pyridyl)acetonitrile is studied as the major metabolite of SC 15396 in rats. The compound is formed in the liver and can be detected in the supernatant fraction of liver homogenate. Its formation is used to study the metabolism and disposition of the parent compound SC 15396.
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| ADME/Pharmacokinetics |
2-Phenyl-2-(2-pyridyl)acetonitrile (MW 194.23) is stable as a powder at -20°C for up to 3 years and in solvent at -80°C for up to 1 year. For in vivo formulation, it can be prepared using 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline. The compound is soluble in DMSO and other organic solvents.
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| Toxicity/Toxicokinetics |
No specific toxicity data are available for 2-Phenyl-2-(2-pyridyl)acetonitrile. As a drug metabolite, its toxicity profile is expected to be related to the parent compound SC 15396. Derivatives of this compound have shown a significantly improved cardiac safety profile compared to the parent cardioactive drug.
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| References |
[1]. Gibson MJ, et al. The metabolism of thioamides by the supernatant fraction of rat liver homogenate. J Pharm Pharmacol. 1969 Dec;21:Suppl:195S+.
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| Additional Infomation |
See also: Soy protein (notes moved to).
2-Phenyl-2-(2-pyridyl)acetonitrile (CAS# 5005-36-7) is a drug metabolite and research compound. It has not been approved as a therapeutic agent. The compound is used in research to study the metabolism of SC 15396 and the development of anticonvulsant agents. It is also known as α-Phenyl-2-pyridineacetonitrile. |
| Molecular Formula |
C13H10N2
|
|---|---|
| Molecular Weight |
194.23
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| Exact Mass |
194.084
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| CAS # |
5005-36-7
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| PubChem CID |
95510
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| Appearance |
Off-white to light brown solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
322.3±27.0 °C at 760 mmHg
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| Melting Point |
83-85ºC
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| Flash Point |
115.2±8.9 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.589
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| LogP |
1.81
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
|
| Heavy Atom Count |
15
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| Complexity |
234
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
N1=C([H])C([H])=C([H])C([H])=C1C([H])(C#N)C1C([H])=C([H])C([H])=C([H])C=1[H]
|
| InChi Key |
CAXNYFPECZCGFK-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C13H10N2/c14-10-12(11-6-2-1-3-7-11)13-8-4-5-9-15-13/h1-9,12H
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| Chemical Name |
2-phenyl-2-pyridin-2-ylacetonitrile
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.1485 mL | 25.7427 mL | 51.4854 mL | |
| 5 mM | 1.0297 mL | 5.1485 mL | 10.2971 mL | |
| 10 mM | 0.5149 mL | 2.5743 mL | 5.1485 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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