| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
2-Acetyl-3-ethylpyrazine does not have a well-defined pharmacological target, as it is primarily a flavoring agent and metabolite. It may interact with various olfactory receptors, but its specific binding targets have not been fully characterized. The compound's pyrazine and ketone groups make it capable of interacting with biological molecules. It is not used as a therapeutic agent.
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|---|---|
| ln Vitro |
2-Acetyl-3-ethylpyrazine does not possess significant pharmacological activity as a pure compound in typical in vitro assays, as it is primarily used as a flavoring agent. Studies may involve evaluating its use as a flavoring agent or its presence as a metabolite in biological samples. The compound is one of the volatile flavor compounds identified during the aging process of Chinese vinegar. It is not studied for specific biological activities.
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| ln Vivo |
In vivo activity of 2-Acetyl-3-ethylpyrazine is related to its role as a metabolite and its use as a flavoring agent. It is metabolized by the body and excreted. However, the compound is not used therapeutically, and comprehensive in vivo studies evaluating its pharmacokinetic properties, efficacy, and safety are limited. Its toxicity profile is primarily related to its use as a flavoring agent.
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| Enzyme Assay |
In vitro enzyme/receptor binding experiments for 2-Acetyl-3-ethylpyrazine are not typical, as it is a flavoring agent rather than a pharmacologically active compound. Studies may involve measuring its presence as a flavor compound. Its chemical properties are characterized using standard analytical methods such as GC and HPLC. The compound is also used as a reference standard in analytical chemistry.
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| Cell Assay |
In vitro cellular experiments for 2-Acetyl-3-ethylpyrazine are not typical, as it is a flavoring agent rather than a pharmacologically active compound. The compound may be used in studies to evaluate its cytotoxicity or its metabolism in cell lines. However, comprehensive in vitro cellular studies are limited. The compound's pyrazine structure may interact with cellular targets.
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| Animal Protocol |
In vivo animal experiments for 2-Acetyl-3-ethylpyrazine are not typical, as it is a flavoring agent rather than a drug candidate. Studies may involve administering the compound to animals to study its metabolism. However, comprehensive in vivo studies evaluating its pharmacokinetic properties are limited.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2-Acetyl-3-ethylpyrazine have not been extensively characterized. With a molecular weight of 150.18, the compound is expected to have moderate lipophilicity. It has a boiling point of 188°F. Detailed pharmacokinetic studies are limited. The compound's physicochemical properties are typical of pyrazines.
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| Toxicity/Toxicokinetics |
Toxicological data for 2-Acetyl-3-ethylpyrazine are limited. As a flavoring agent, it is generally recognized as safe at the levels used in foods. However, the compound should be handled with care, and standard safety protocols for handling pyrazines should be followed, including the use of personal protective equipment and working in a well-ventilated area.
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| Additional Infomation |
2-Acetyl-3-ethylpyrazine is an aromatic ketone. It has been reported that 2-acetyl-3-ethylpyrazine exists in the plant Teucrium leucocladum, and relevant data are available for reference.
2-Acetyl-3-ethylpyrazine is a research compound that has not entered clinical trials or received regulatory approval for therapeutic use. It is primarily used as a flavoring agent in the food industry. The compound is an endogenous metabolite and is found naturally in pork liver and cocoa. It is one of the volatile flavor compounds identified in Chinese vinegar. It is also known as 1-(3-Ethylpyrazin-2-yl)ethanone and carries FEMA number 3250 and JECFA number 785. |
| Molecular Formula |
C₈H₁₀N₂O
|
|---|---|
| Molecular Weight |
150.18
|
| Exact Mass |
150.079
|
| CAS # |
32974-92-8
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| PubChem CID |
61918
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
247.3±40.0 °C at 760 mmHg
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| Flash Point |
86.7±0.0 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.511
|
| LogP |
1.15
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
11
|
| Complexity |
147
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCC1=C(N=CC=N1)C(C)=O
|
| InChi Key |
PPJSYGVFDJEMRP-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H10N2O/c1-3-7-8(6(2)11)10-5-4-9-7/h4-5H,3H2,1-2H3
|
| Chemical Name |
1-(3-ethylpyrazin-2-yl)ethanone
|
| Synonyms |
2Acetyl3ethylpyrazine; 2 Acetyl 3 ethylpyrazine
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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 (~665.87 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.65 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 (16.65 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 (16.65 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 | 6.6587 mL | 33.2934 mL | 66.5868 mL | |
| 5 mM | 1.3317 mL | 6.6587 mL | 13.3174 mL | |
| 10 mM | 0.6659 mL | 3.3293 mL | 6.6587 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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