| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
| Targets |
3-Methyl-2-cyclopenten-1-one does not have a well-defined pharmacological target, as it is primarily a flavoring agent and endogenous metabolite. It may interact with various enzymes and receptors as a xenobiotic, but its specific binding targets have not been fully characterized. The compound's α,β-unsaturated ketone structure makes it reactive and capable of undergoing Michael addition reactions with biological nucleophiles.
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|---|---|
| ln Vitro |
3-Methyl-2-cyclopenten-1-one 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 reactivity in organic synthesis or its presence as a metabolite in biological samples. The compound is of interest in organic synthesis and may serve as a building block. It is not studied for specific biological activities.
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| ln Vivo |
In vivo activity of 3-Methyl-2-cyclopenten-1-one is related to its role as an endogenous metabolite and its use as a flavoring agent. The compound is metabolized by the body and excreted. However, it 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 3-Methyl-2-cyclopenten-1-one are not typical, as it is a flavoring agent and metabolite rather than a pharmacologically active compound. Studies may involve measuring its reactivity with various reagents or its presence as a metabolite in biological samples. 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 3-Methyl-2-cyclopenten-1-one 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 α,β-unsaturated ketone group can react with cellular nucleophiles, which may contribute to its biological effects.
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| Animal Protocol |
In vivo animal experiments for 3-Methyl-2-cyclopenten-1-one 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 or toxicity. The compound is approved as a flavoring agent and is generally recognized as safe at low concentrations. Comprehensive in vivo studies evaluating its pharmacokinetic properties are limited.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-Methyl-2-cyclopenten-1-one have not been extensively characterized. With a molecular weight of 96.13, the compound is expected to be readily absorbed and distributed. It is soluble in water and has a melting point of 2°C. The compound is volatile and can be absorbed through inhalation and skin contact. Detailed pharmacokinetic studies are limited.
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| Toxicity/Toxicokinetics |
Toxicological data for 3-Methyl-2-cyclopenten-1-one indicate that it is approved as a flavoring agent and is generally recognized as safe at low concentrations. However, as with all flavoring agents, it may cause irritation or sensitization in some individuals. The compound should be handled with care, and standard safety protocols for handling ketones should be followed.
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| Additional Infomation |
3-Methyl-2-cyclopenten-1-one is a cyclic ketone. 3-Methyl-2-cyclopenten-1-one has been reported in chili peppers, and relevant data are available for reference.
3-Methyl-2-cyclopenten-1-one is a research chemical 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 and as an organic synthesis building block. The compound is an endogenous metabolite and is also known as 1-Methyl-1-cyclopenten-3-one. Its α,β-unsaturated ketone structure makes it a valuable compound for studying Michael addition reactions. |
| Molecular Formula |
C₆H₈O
|
|---|---|
| Molecular Weight |
96.13
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| Exact Mass |
96.057
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| CAS # |
2758-18-1
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| PubChem CID |
17691
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| Appearance |
Light yellow to brown liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
157.5±10.0 °C at 760 mmHg
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| Melting Point |
3-5 °C(lit.)
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| Flash Point |
53.1±9.8 °C
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| Vapour Pressure |
2.7±0.3 mmHg at 25°C
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| Index of Refraction |
1.482
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| LogP |
0.54
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
7
|
| Complexity |
122
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C1C([H])=C(C([H])([H])[H])C([H])([H])C1([H])[H]
|
| InChi Key |
CHCCBPDEADMNCI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3
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| Chemical Name |
3-methylcyclopent-2-en-1-one
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| Synonyms |
3Methyl2cyclopenten1one; 3 Methyl 2 cyclopenten 1 one
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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 (~1040.26 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (26.01 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 (26.01 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 (26.01 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 | 10.4026 mL | 52.0129 mL | 104.0258 mL | |
| 5 mM | 2.0805 mL | 10.4026 mL | 20.8052 mL | |
| 10 mM | 1.0403 mL | 5.2013 mL | 10.4026 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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