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| Other Sizes |
| Targets |
2-Sec-butyl-3-methoxypyrazine is used by various insect species in their chemical communication systems. In ladybug species (Coccinellidae), it serves as a semiochemical for chemical communication. The compound's methoxypyrazine structure allows it to interact with olfactory receptors in insects. As a volatile compound, it is detected through chemosensory systems. The compound's presence in Saccharomyces cerevisiae suggests it may be involved in metabolic pathways of this yeast. Its role as a metabolite in various organisms indicates it may interact with metabolic enzymes. Further research is needed to fully elucidate its molecular targets.
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| ln Vitro |
In vitro studies of 2-Sec-butyl-3-methoxypyrazine have focused on its role as a chemical communication signal in insects. The compound has been detected in ladybug species and identified as a methoxypyrazine used in chemical communication. Its presence in Zygaena lonicerae, Zingiber mioga, and as a metabolite of Saccharomyces cerevisiae has been documented. As a volatile compound, its sensory properties have been characterized. The compound's purity of 99.04% supports its use in analytical and research applications. These in vitro studies provide foundational data for understanding the compound's properties and ecological functions.
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| ln Vivo |
In vivo studies of 2-Sec-butyl-3-methoxypyrazine have focused on its ecological role in insect communication. The compound is utilized by various insect species, particularly in the Coleoptera order (Coccinellidae), in their chemical communication systems. In ladybird species, it serves as a volatile signal for chemical communication. The compound's presence in organisms including Zygaena lonicerae and Zingiber mioga suggests ecological functions. Its production by Saccharomyces cerevisiae indicates a role in yeast metabolism. Further research is needed to fully characterize its in vivo effects and ecological significance. The compound is not a therapeutic agent.
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| Enzyme Assay |
In vitro receptor binding assays for 2-Sec-butyl-3-methoxypyrazine typically involve testing its interactions with olfactory receptors, given its role as a chemical communication signal. Receptor binding studies may utilize cell-based assays expressing insect olfactory receptors to measure activation by the compound. For analytical applications, the compound's purity and identity are assessed using gas chromatography-mass spectrometry or high-performance liquid chromatography. The compound's volatility requires careful handling during analysis. All assays are performed with appropriate controls and standardized protocols to ensure reproducibility of results.
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| Cell Assay |
In vitro cell-based assays for 2-Sec-butyl-3-methoxypyrazine are limited, as the compound is primarily used in ecological and analytical research rather than as a pharmacological agent. For olfactory receptor studies, insect cells expressing olfactory receptors are treated with varying concentrations of the compound, and receptor activation is measured using calcium imaging or electrophysiological methods. For antimicrobial or other biological activities, relevant cell lines or microbial cultures could be treated with the compound. Cell viability is assessed using standard assays. All experiments are performed with appropriate controls to ensure statistical reliability.
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| Animal Protocol |
In vivo animal experiments for 2-Sec-butyl-3-methoxypyrazine are primarily conducted in the context of insect behavioral studies. Insects such as ladybird species are exposed to the compound, and behavioral responses are monitored to assess its role in chemical communication. Parameters assessed include attraction, repellency, and mating behavior. For ecological studies, the compound's presence in various organisms is documented. For toxicology studies, animals may be exposed to the compound to evaluate its safety profile. All procedures comply with institutional animal care and use committee guidelines. Comprehensive pharmacological studies are not well documented as the compound is not a therapeutic agent.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 2-Sec-butyl-3-methoxypyrazine reflect its nature as a small volatile compound. It has a molecular weight of 166.22 and the molecular formula C9H14N2O. The compound has a purity of 99.04%. 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 including half-life, clearance, and bioavailability would require further systematic studies using appropriate analytical methods such as gas chromatography-mass spectrometry.
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| Toxicity/Toxicokinetics |
The toxicity profile of 2-Sec-butyl-3-methoxypyrazine has been evaluated in the context of its use as a research chemical. As a naturally occurring volatile compound found in ladybugs and other organisms, it is expected to have a favorable safety profile at research concentrations. The compound is classified as a research chemical intended for laboratory use only. Proper handling procedures including use of personal protective equipment are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for research purposes only. Long-term toxicity studies would be needed to fully establish its safety profile for pharmaceutical applications.
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| References | |
| Additional Infomation |
2-Methoxy-3-(1-Methylpropyl)pyrazine belongs to the pyrazine class of aromatic ethers. It has been reported that 2-sec-butyl-3-methoxypyrazine exists in Zygaena lonicerae, ginger (Zingiber mioga), and other organisms with relevant data. sec-Butylmethoxypyrazine is a metabolite found or produced in Saccharomyces cerevisiae.
2-Sec-butyl-3-methoxypyrazine (CAS# 24168-70-5) is also known as SBMP and 2-methoxy-3-(1-methylpropyl)pyrazine. It has the molecular formula C9H14N2O and a molecular weight of 166.22. The compound is a methoxypyrazine that has been detected in ladybug species and is used in chemical communication by Coleoptera, Coccinellidae. It has also been reported in Zygaena lonicerae, Zingiber mioga, and is a metabolite of Saccharomyces cerevisiae. The compound has a purity of 99.04%. Ricinine (Standard) is the analytical standard of Ricinine and exhibits hepatoprotection in CCl4-induced liver damage. The compound 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 # |
24168-70-5
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| PubChem CID |
520098
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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 |
230.5±40.0 °C at 760 mmHg
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| Melting Point |
92-94ºC
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| Flash Point |
77.2±0.0 °C
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| Vapour Pressure |
0.1±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 |
130
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])([H])[H])C1C(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=NC([H])=C([H])N=1
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| InChi Key |
QMQDJVIJVPEQHE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3
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| Chemical Name |
2-butan-2-yl-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: 100 mg/mL (601.61 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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