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| Other Sizes |
| Targets |
2-Isobutyl-3-methoxypyrazine targets olfactory receptors in insects and humans as a volatile flavor compound. In insects, methoxypyrazines serve as chemical communication signals. In humans, the compound activates olfactory receptors responsible for detecting earthy and green aromas. The compound's methoxy group and pyrazine ring provide specific structural features for receptor interactions. Its role as a flavor compound suggests interactions with olfactory receptor neurons. Further research is needed to identify its specific molecular targets.
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| ln Vitro |
In vitro studies of 2-Isobutyl-3-methoxypyrazine have focused on its role as a flavor compound and volatile organic compound. The compound's sensory properties have been characterized using sensory evaluation panels. Its volatility and stability have been assessed under various conditions. The compound's presence in foods and beverages has been documented. These in vitro studies provide foundational data for understanding the compound's properties and its applications in flavor chemistry and food science research.
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| ln Vivo |
In vivo studies of 2-Isobutyl-3-methoxypyrazine have focused on its role as a flavor compound in foods and beverages. The compound is consumed as part of the diet and contributes to the sensory experience of various foods. Its metabolism in vivo would follow standard pathways for volatile organic compounds. However, comprehensive in vivo pharmacological studies specifically targeting 2-Isobutyl-3-methoxypyrazine are not well documented.
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| Enzyme Assay |
In vitro receptor binding assays for 2-Isobutyl-3-methoxypyrazine typically involve testing its interactions with olfactory receptors. Receptor binding studies may utilize cell-based assays expressing olfactory receptors to measure activation by the compound. For flavor analysis, the compound's sensory properties are characterized using sensory evaluation panels. Its volatility and purity are assessed using gas chromatography-mass spectrometry. All assays are performed with appropriate controls.
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| Cell Assay |
In vitro cell-based assays for 2-Isobutyl-3-methoxypyrazine involve culturing cells expressing olfactory receptors to evaluate its activity. Cells are treated with varying concentrations of the compound and receptor activation is measured using calcium imaging or electrophysiological methods. Cell viability is assessed using standard assays. For flavor research, sensory evaluation panels are employed. All experiments are performed with appropriate controls.
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| Animal Protocol |
In vivo animal experiments for 2-Isobutyl-3-methoxypyrazine are primarily conducted in the context of insect chemical communication studies. Insects are exposed to the compound and behavioral responses are monitored. For toxicology studies, animals may be exposed to the compound to evaluate its safety profile. Parameters assessed include body weight, organ weights, and histopathology. Control groups receiving vehicle alone are included for comparison. All procedures comply with institutional animal care and use committee guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 2-Isobutyl-3-methoxypyrazine reflect its nature as a small volatile compound. It has a molecular formula of C9H14N2O. Its volatile nature suggests rapid absorption through inhalation and gastrointestinal routes. As a small lipophilic molecule, it can cross biological membranes readily. The compound is expected to be metabolized through standard xenobiotic pathways. Complete pharmacokinetic profiling would require further systematic studies.
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| Toxicity/Toxicokinetics |
The toxicity profile of 2-Isobutyl-3-methoxypyrazine has been evaluated in the context of its use as a research chemical. As a volatile organic compound, it may cause respiratory irritation upon inhalation of high concentrations. Proper handling procedures including use of personal protective equipment and adequate ventilation are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for research purposes only.
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| References | |
| Additional Infomation |
Pyrazine, 2-methoxy-3-(2-methylpropyl)-, belongs to the pyrazine class of aromatic ethers. It has been reported that 2-isobutyl-3-methoxypyrazine exists in honeysuckle (Zygaena lonicerae), ginger (Zingiber mioga), and other organisms with relevant data. 2-Methoxy-3-isobutylpyrazine is a metabolite found in or produced by Saccharomyces cerevisiae.
2-Isobutyl-3-methoxypyrazine (CAS# 24683-00-9) is a methoxypyrazine compound with the molecular formula C9H14N2O. It is a volatile organic compound known for its role as a flavor compound in foods and beverages, contributing to earthy, green, and bell pepper-like aromas. Methoxypyrazines are also used as chemical communication signals in insects. 2-Isobutyl-3-methoxypyrazine is used in research applications for studying flavor chemistry, volatile organic compounds, and insect chemical communication. It is intended for research use only. |
| Molecular Formula |
C9H14N2O
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|---|---|
| Molecular Weight |
166.22
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| Exact Mass |
166.11
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| CAS # |
24683-00-9
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| Related CAS # |
2-Isobutyl-3-methoxypyrazine-d3; 588732-63-2
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| PubChem CID |
32594
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
210.8±35.0 °C at 760 mmHg
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| Melting Point |
107ºC
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| Flash Point |
80.0±0.0 °C
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| Vapour Pressure |
0.3±0.4 mmHg at 25°C
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| Index of Refraction |
1.488
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| LogP |
2.62
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
12
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| Complexity |
128
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])([H])[H])C1C(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=NC([H])=C([H])N=1
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| InChi Key |
UXFSPRAGHGMRSQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3
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| Chemical Name |
2-methoxy-3-(2-methylpropyl)pyrazine
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| Synonyms |
2-Isobutyl-3-methoxypyrazine
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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: 50 mg/mL (300.81 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.04 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 (15.04 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 (15.04 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 | 6.0161 mL | 30.0806 mL | 60.1612 mL | |
| 5 mM | 1.2032 mL | 6.0161 mL | 12.0322 mL | |
| 10 mM | 0.6016 mL | 3.0081 mL | 6.0161 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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