| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Human Endogenous Metabolite
2-Methylvaleric acid does not have a specific pharmacological target as it is a metabolite and biomarker rather than a therapeutic drug. As a branched short-chain fatty acid produced by gut microbes, it is involved in metabolic pathways. Its content is significantly reduced in the feces of diabetic mice, suggesting it may be a potential biomarker for metabolic diseases. |
|---|---|
| ln Vitro |
In vitro activity of 2-Methylvaleric acid is not evaluated as a bioactive compound with pharmacological effects. Its utility lies in its role as a metabolite and potential biomarker. It is used in research to study gut microbiome metabolism and metabolic diseases. Its "activity" is reflected in its presence in biological samples.
|
| ln Vivo |
In vivo, 2-Methylvaleric acid is a branched short-chain fatty acid produced by gut microbes from branched-chain amino acid metabolism. It can be used as a potential biomarker for metabolic diseases such as type 2 diabetes, and its content is significantly reduced in the feces of diabetic mice. It is not a therapeutic agent.
|
| Enzyme Assay |
In vitro enzyme assays with 2-Methylvaleric acid typically involve studying enzymes involved in branched-chain amino acid metabolism or short-chain fatty acid metabolism. The compound can be used as a product or substrate in assays to characterize enzyme activity. Standard assays involve incubating with enzyme preparations and analyzing products by GC-MS or LC-MS.
|
| Cell Assay |
2-Methylvaleric acid is not typically used in cell culture experiments as a bioactive compound for treating cells. However, it may be employed in studies investigating gut microbiome metabolism or as a standard for analytical method development. Its primary use is as a metabolite and potential biomarker.
|
| Animal Protocol |
In vivo animal experiments with 2-Methylvaleric acid typically involve measuring its levels in feces, blood, or other biological samples as a biomarker of metabolic disease. Animal models of diabetes or metabolic disorders are used to study changes in 2-methylvaleric acid levels and their correlation with disease states.
|
| ADME/Pharmacokinetics |
The pharmacokinetic (PK) properties of 2-Methylvaleric acid reflect its role as a metabolite. It is produced by gut microbes and may be absorbed into the circulation. Its levels in biological samples reflect gut microbiome activity and host metabolism. Specific PK data are not available as it is a metabolite rather than a drug.
|
| Toxicity/Toxicokinetics |
2-Methylvaleric acid has a low toxicity profile as a naturally occurring metabolite. For research use, standard laboratory safety practices are sufficient. It is not considered a hazardous substance. Comprehensive toxicology studies have not been published for this compound.
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| References |
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| Additional Infomation |
2-Methylvaleric acid is a methyl branched-chain fatty acid, belonging to the valeric acid family, with a methyl group at the 2-position. It can be used as a flavoring agent, plant metabolite, and fragrance. It is a branched-chain saturated fatty acid, a methyl branched-chain fatty acid, a monocarboxylic acid, and a short-chain fatty acid. It is the conjugate acid of 2-methylvaleric acid esters. It has been reported that 2-methylvaleric acid is present in geranium (Pelargonium graveolens), and relevant data are available for reference.
2-Methylvaleric acid (2-Methylpentanoic acid) is a branched short-chain fatty acid produced by the metabolism of branched-chain amino acids by gut microbes. It can be used as a potential biomarker for metabolic diseases such as type 2 diabetes, and its content is significantly reduced in the feces of diabetic mice. The compound is not a drug and has no therapeutic indications. It is available for laboratory research use only. |
| Molecular Formula |
C6H12O2
|
|---|---|
| Molecular Weight |
116.16
|
| Exact Mass |
116.083
|
| CAS # |
97-61-0
|
| PubChem CID |
7341
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
0.9±0.1 g/cm3
|
| Boiling Point |
195.4±8.0 °C at 760 mmHg
|
| Melting Point |
-85°C
|
| Flash Point |
91.1±0.0 °C
|
| Vapour Pressure |
0.2±0.8 mmHg at 25°C
|
| Index of Refraction |
1.425
|
| LogP |
1.66
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
8
|
| Complexity |
78.6
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(C(CCC)C)O
|
| InChi Key |
OVBFMEVBMNZIBR-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
|
| Chemical Name |
2-methylpentanoic acid
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (860.88 mM)
|
|---|---|
| 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| 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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