| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
4-Methylpentanoic acid targets metabolic enzymes involved in fatty acid oxidation and metabolism. As a branched-chain fatty acid, it is metabolized through β-oxidation pathways. The compound may also interact with receptors and enzymes involved in the sensing and metabolism of fatty acids.
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|---|---|
| ln Vitro |
4-Methylpentanoic acid exhibits limited direct biological activity as a therapeutic agent. Its primary applications are as a chemical intermediate and research reagent for studying fatty acid metabolism, organic acidurias, and related metabolic disorders. The compound may be used as a reference standard in analytical chemistry.
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| ln Vivo |
4-Methylpentanoic acid is a natural metabolite that is involved in fatty acid metabolism. It is metabolized through β-oxidation and may be used as a substrate to study fatty acid oxidation pathways in vivo. The compound's levels in biological fluids may be altered in certain metabolic disorders.
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| Enzyme Assay |
In vitro non-cell assays for 4-Methylpentanoic acid typically involve measuring fatty acid oxidation using isolated mitochondria or purified enzymes. The compound is incubated with mitochondrial preparations or enzymes, and the rate of oxidation is measured by oxygen consumption, NADH production, or product formation using spectrophotometric or HPLC-based methods.
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| Cell Assay |
In vitro cell-based assays for 4-Methylpentanoic acid use hepatocytes or other cell lines to study fatty acid metabolism. Cells are treated with 4-Methylpentanoic acid, and parameters such as fatty acid oxidation rates, metabolite levels, and gene expression of metabolic enzymes are assessed.
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| Animal Protocol |
In vivo animal studies for 4-Methylpentanoic acid may involve administration of the compound to rodents to study fatty acid metabolism and the effects of branched-chain fatty acids on metabolic pathways. Parameters assessed include plasma and tissue levels of the compound and its metabolites, metabolic flux, and effects on energy homeostasis.
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| ADME/Pharmacokinetics |
4-Methylpentanoic acid has a molecular weight of 116.16 g/mol and a molecular formula of C₆H₁₂O₂. It is also known as isocaproic acid. The compound is a colorless liquid that is soluble in organic solvents. Detailed pharmacokinetic parameters have not been extensively characterized.
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| Toxicity/Toxicokinetics |
4-Methylpentanoic acid is generally considered to have low toxicity. As a short-chain fatty acid, it is a natural metabolite that is metabolized through normal physiological pathways. However, high doses may cause metabolic disturbances. Standard laboratory safety precautions should be followed when handling the compound.
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| References | |
| Additional Infomation |
Isohexanoic acid is a methyl branched-chain fatty acid, a product of valeric acid with a methyl group replaced at the 4-position. It is a metabolite of 20α-hydroxycholesterol and plays a role in human metabolism. It is a branched-chain saturated fatty acid, a methyl branched-chain fatty acid, and a medium-chain fatty acid, and is also the conjugate acid of isohexanoic acid. 4-Methylvaleric acid has been reported to exist in konjac (Amorphophallus elatus), geranium (Pelargonium graveolens), and several other organisms with relevant data.
4-Methylpentanoic acid is a branched-chain carboxylic acid also known as isocaproic acid. It is used as a chemical intermediate, research reagent, and reference standard in studies of fatty acid metabolism and organic acidurias. Not approved for therapeutic use; intended for research purposes only. |
| Molecular Formula |
C6H12O2
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|---|---|
| Molecular Weight |
116.1583
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| Exact Mass |
116.083
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| CAS # |
646-07-1
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| Related CAS # |
4-Methylpentanoic acid-d12;116287-57-1;4-Methylpentanoic acid-d11;344298-98-2
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| PubChem CID |
12587
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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 |
201.0±0.0 °C at 760 mmHg
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| Melting Point |
-35 °C
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| Flash Point |
97.2±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 |
76.6
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C(C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O
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| InChi Key |
FGKJLKRYENPLQH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
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| Chemical Name |
4-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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