| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
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| Other Sizes |
| Targets |
2-Methyl-4-pentenoic Acid does not have a well-defined primary pharmacological target, such as a specific enzyme or receptor. As a simple organic acid, it is not a drug and does not possess a known mechanism of action in biological systems. Its utility lies in its chemical properties, which make it a valuable precursor or intermediate for synthesizing more complex molecules, including potential pharmaceuticals or agrochemicals.
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|---|---|
| ln Vitro |
2-Methyl-4-pentenoic Acid does not have established in vitro biological activity as a pharmacologically active compound. Its primary role is as a chemical reagent or building block. In a research context, it might be used as a starting material to synthesize derivatives that are then tested for biological activity, but the parent compound itself is not typically the subject of biological assays.
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| ln Vivo |
There are no established in vivo activities for 2-Methyl-4-pentenoic Acid as a therapeutic agent. As a chemical intermediate, it is not intended for administration to humans or animals. Its effects in a living organism would be entirely dependent on the specific derivatives or prodrugs that are synthesized from it.
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| Enzyme Assay |
2-Methyl-4-pentenoic Acid is not typically used in receptor binding or enzyme assays as a test compound. If it were to be used in such an assay, it would first be dissolved in an appropriate solvent, such as DMSO, which shows good solubility (~100 mg/mL). It could then be tested against the target of interest, and its binding or inhibition would be measured using standard biochemical techniques like radioligand binding, fluorescence polarization, or enzymatic activity assays.
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| Cell Assay |
2-Methyl-4-pentenoic Acid is not typically used in cell-based assays as a pharmacologically active compound. If it were to be used, cells would be treated with varying concentrations of the compound dissolved in culture medium, with the DMSO content kept below 0.1-1% to avoid cytotoxicity. Cell viability, proliferation, or other endpoints could then be assessed using standard assays such as MTT or SRB. However, its primary application remains in synthetic chemistry.
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| Animal Protocol |
As a synthetic intermediate, 2-Methyl-4-pentenoic Acid is not typically used in animal studies as a therapeutic agent. It is a research chemical used in the laboratory for synthesis. Any in vivo studies would be related to its environmental fate or toxicology as an industrial chemical, rather than its pharmacological efficacy.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 2-Methyl-4-pentenoic Acid would be typical of small, moderately lipophilic carboxylic acids. It is expected to be well-absorbed if ingested, metabolized in the liver, and excreted in urine. Its logP is 1.34, indicating moderate lipophilicity. Its vapor pressure is 0.2 ± 0.8 mmHg at 25°C. The compound is stable for long-term storage as a powder at -20°C for up to 3 years.
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| Toxicity/Toxicokinetics |
2-Methyl-4-pentenoic Acid has low toxicity as a chemical intermediate. Standard safety precautions should be followed when handling the compound, as it may cause skin, eye, and respiratory tract irritation. It is classified as a hazardous substance and should be handled with care. The compound is for research use only and is not intended for human consumption.
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| Additional Infomation |
2-Methyl-4-pentenoic acid is a branched-chain fatty acid.
2-Methyl-4-pentenoic Acid is a simple organic acid and a flavoring agent. It is used primarily as a building block or raw material in organic synthesis. Its chemical structure, featuring a carboxylic acid and an alkene, makes it a versatile intermediate for a variety of chemical transformations, including the synthesis of more complex bioactive molecules. |
| Molecular Formula |
C6H10O2
|
|---|---|
| Molecular Weight |
114.1424
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| Exact Mass |
114.068
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| CAS # |
1575-74-2
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| PubChem CID |
549519
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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 |
190.6±9.0 °C at 760 mmHg
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| Flash Point |
88.1±13.9 °C
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| Vapour Pressure |
0.2±0.8 mmHg at 25°C
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| Index of Refraction |
1.441
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| LogP |
1.34
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
8
|
| Complexity |
96.7
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
C=CCC(C)C(=O)O
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| InChi Key |
HVRZYSHVZOELOH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
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| Chemical Name |
2-methylpent-4-enoic acid
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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 (~876.12 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (21.90 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 (21.90 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 (21.90 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 | 8.7612 mL | 43.8059 mL | 87.6117 mL | |
| 5 mM | 1.7522 mL | 8.7612 mL | 17.5223 mL | |
| 10 mM | 0.8761 mL | 4.3806 mL | 8.7612 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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