| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
2-Acetylpyrazine does not have a well-defined pharmacological target. As a component of folates, it may have a role in vitamin B metabolism. The compound is primarily used as a flavoring agent and chemical intermediate. Its biological activity is limited to its role as a building block in the synthesis of pharmaceuticals and fragrances.
|
|---|---|
| ln Vitro |
In vitro, 2-acetylpyrazine is used as a building block in the synthesis of polycyclic compounds for pharmaceutical and fragrance applications. Its in vitro activities are limited to its chemical reactivity. The compound is a component of folates, suggesting a potential role in one-carbon metabolism. Detailed in vitro pharmacological studies are limited.
|
| ln Vivo |
In vivo data for 2-acetylpyrazine are limited. The compound is primarily used as a flavoring agent and chemical intermediate. Its role as a component of folates suggests that it may have nutritional or metabolic functions. However, comprehensive in vivo studies are not available.
|
| Enzyme Assay |
General protocols for flavor analysis use gas chromatography-mass spectrometry (GC-MS) or high-performance liquid chromatography (HPLC). 2-Acetylpyrazine is extracted from food or fragrance samples using appropriate solvents and analyzed by GC-MS or HPLC. The compound's identity is confirmed by retention time and mass spectrum. Quantification is performed using external or internal standards. The compound's purity and concentration in samples are determined.
|
| Cell Assay |
General protocols for chemical synthesis using 2-acetylpyrazine involve condensation reactions with various nucleophiles to form polycyclic compounds. The compound is dissolved in appropriate solvents and reacted with reagents under controlled conditions (temperature, time, pH). The products are purified by column chromatography or recrystallization and characterized by NMR, MS, and IR spectroscopy. The yields and purity of the products are determined. The synthesized compounds are evaluated for pharmaceutical or fragrance applications.
|
| Animal Protocol |
General protocols for in vivo studies of 2-acetylpyrazine are not well established. The compound is primarily used in food and fragrance applications. For toxicological studies, the compound may be administered orally to rodents at various doses. Body weight, clinical signs, and mortality are monitored. Tissues are collected for histopathological examination. However, comprehensive in vivo studies are limited.
|
| ADME/Pharmacokinetics |
2-Acetylpyrazine has a molecular weight of 122.12 g/mol (C6H6N2O). It is a pyrazine substituted by an acetyl group at position 2. The compound is a component of folates. Its pharmacokinetic properties have not been extensively characterized. The compound is used as a flavoring agent and chemical intermediate.
|
| Toxicity/Toxicokinetics |
The toxicity profile of 2-acetylpyrazine has not been fully characterized. As a flavoring agent used in food and cosmetics, it is generally recognized as safe at low concentrations. However, high concentrations may cause irritation. The compound should be handled with appropriate safety precautions. Comprehensive toxicological studies are limited.
|
| Additional Infomation |
2-Acetylpyrazine is a pyrazine compound with an acetyl group substituted at the 2-position. It has been identified as a volatile flavor component in popcorn, bread crusts, vinegar, and potato snacks, and has a flavoring effect. It is an aromatic ketone belonging to the pyrazine class of compounds. Acetylpyrazine has also been reportedly found in Polygala senega, and relevant data are available.
2-Acetylpyrazine (CAS 22047-25-2) is a pyrazine derivative used as a flavoring agent in the food industry and as a fragrance in the cosmetic industry. It is a component of folates (vitamin B compounds) and is used to form polycyclic compounds for pharmaceutical and fragrance applications. It has no approved therapeutic indications. Its applications are primarily in the food, cosmetic, and chemical industries. |
| Molecular Formula |
C6H6N2O
|
|---|---|
| Molecular Weight |
122.13
|
| Exact Mass |
124.063
|
| CAS # |
22047-25-2
|
| PubChem CID |
30914
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
249.0±40.0 °C at 760 mmHg
|
| Melting Point |
75-78 °C
|
| Flash Point |
121.9±27.5 °C
|
| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.499
|
| LogP |
-2.71
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
9
|
| Complexity |
114
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(=O)C1=CN=CC=N1
|
| InChi Key |
DBZAKQWXICEWNW-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3
|
| Chemical Name |
Ethanone, 1-(2-pyrazinyl)-
|
| Synonyms |
2-Acetylpyrazine 2Acetylpyrazine2 Acetylpyrazine 2-Acetylpyrazine Acetylpyrazine1-Pyrazinylethanone
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~818.80 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (20.47 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 (20.47 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 (20.47 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 | 8.1880 mL | 40.9400 mL | 81.8800 mL | |
| 5 mM | 1.6376 mL | 8.1880 mL | 16.3760 mL | |
| 10 mM | 0.8188 mL | 4.0940 mL | 8.1880 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
