| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| Other Sizes |
| Targets |
3-Methylvaleric acid does not have a specific pharmacological target but interacts with metabolic pathways as a fatty acid metabolite. It is involved in the metabolism of branched-chain amino acids and may act as a signaling molecule in various biological systems. Its role as a metabolite suggests it can modulate cellular processes through fatty acid receptors or metabolic intermediates.
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|---|---|
| ln Vitro |
In vitro, 3-methylvaleric acid is primarily used as a research chemical and flavoring agent. It has been studied for its role as a metabolite in various organisms. Its activity in cell-free systems is limited, but it may serve as a substrate or inhibitor in certain enzymatic reactions involving fatty acid metabolism. Its effects on cell cultures have not been extensively characterized.
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| ln Vivo |
In vivo, 3-methylvaleric acid functions as a metabolite in plants, animals, and fungi. It is involved in the breakdown and synthesis of branched-chain fatty acids. Its role as a flavoring agent suggests it is metabolically active and may influence taste perception. Detailed in vivo pharmacological studies are limited, as it is primarily used as a research chemical.
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| Enzyme Assay |
For in vitro enzyme assays, 3-methylvaleric acid can be used as a substrate or inhibitor in studies of fatty acid metabolism. Enzymes such as acyl-CoA synthetases or dehydrogenases may interact with this compound. Activity can be measured by monitoring the consumption of cofactors (e.g., NADH) or the production of reaction products using spectrophotometric or chromatographic methods.
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| Cell Assay |
For in vitro cell-based assays, 3-methylvaleric acid can be tested on cell lines involved in fatty acid metabolism, such as hepatocytes or adipocytes. Cells are treated with the compound at various concentrations (typically 1-100 μM) for 24-48 hours. Cellular metabolic activity, gene expression of metabolic enzymes, and fatty acid uptake can be assessed using standard biochemical assays and qPCR.
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| Animal Protocol |
For in vivo animal experiments, 3-methylvaleric acid can be administered to rodents to study its metabolic effects. The compound is typically given orally or intraperitoneally at doses ranging from 10-100 mg/kg. Blood and tissue samples are collected to measure fatty acid levels, metabolic intermediates, and enzyme activities. Metabolomic analysis can be performed to assess its impact on systemic metabolism.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 3-methylvaleric acid are limited. As a small, branched-chain fatty acid with a molecular weight of 116.16 g/mol and formula C₆H₁₂O₂, it is expected to be rapidly absorbed and metabolized. It may be oxidized via beta-oxidation pathways or incorporated into lipid pools. Its half-life is likely short, and it is excreted as metabolites in urine.
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| Toxicity/Toxicokinetics |
Toxicological data for 3-methylvaleric acid are limited. As a naturally occurring metabolite, it is generally considered to have low toxicity at physiological concentrations. At high doses, it may cause irritation or metabolic disturbances. It is classified as a research-grade chemical and is not intended for human therapeutic use. Standard laboratory safety practices should be followed when handling.
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| Additional Infomation |
3-Methylvaleric acid is a methyl branched-chain fatty acid, belonging to the valeric acid family, with a methyl group at the 3-position. It can be used as a plant metabolite, animal metabolite, fungal metabolite, and flavoring agent. It is a methyl branched-chain fatty acid, short-chain fatty acid, branched-chain saturated fatty acid, and monocarboxylic acid. It is the conjugate acid of 3-methylvaleric acid esters. It has been reported that 3-methylvaleric acid is found in valerian (Valeriana officinalis), geranium (Pelargonium graveolens), and several other organisms with relevant data.
3-Methylvaleric acid is a research-use only compound and has not been approved for clinical applications. It is also known as 3-methylpentanoic acid and β-methylvaleric acid. Its molecular weight is 116.16, and its formula is C₆H₁₂O₂. It is a colorless liquid with a boiling point of 197.8°C. It is available from various research chemical suppliers for non-clinical studies and is used as a building block in organic synthesis. |
| Molecular Formula |
C6H12O2
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|---|---|
| Molecular Weight |
116.1583
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| Exact Mass |
116.083
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| CAS # |
105-43-1
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| PubChem CID |
7755
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| Appearance |
Colorless to light yellow liquid
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
199.0±0.0 °C at 760 mmHg
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| Melting Point |
-41 °C
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| Flash Point |
85.0±0.0 °C
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| Vapour Pressure |
0.1±0.8 mmHg at 25°C
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| Index of Refraction |
1.425
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| LogP |
1.66
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
8
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| Complexity |
78.6
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=O
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| InChi Key |
IGIDLTISMCAULB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
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| Chemical Name |
3-methylpentanoic 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 (~860.88 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (21.52 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 (21.52 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 (21.52 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 | 8.6088 mL | 43.0441 mL | 86.0882 mL | |
| 5 mM | 1.7218 mL | 8.6088 mL | 17.2176 mL | |
| 10 mM | 0.8609 mL | 4.3044 mL | 8.6088 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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