| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
| Targets |
4-Methyl-2-oxopentanoic acid is a metabolic intermediate in leucine catabolism. It does not have a traditional therapeutic target but is involved in metabolic pathways. It increases endoplasmic reticulum stress, suggesting effects on cellular stress responses. It is a substrate for branched-chain amino acid aminotransferase and other metabolic enzymes.
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| ln Vitro |
In vitro, 4-Methyl-2-oxopentanoic acid increases endoplasmic reticulum stress. It is a metabolic intermediate in leucine catabolism. Quantitative in vitro activity data is not detailed in the publicly available sources.
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| ln Vivo |
In vivo, 4-Methyl-2-oxopentanoic acid is a metabolic intermediate involved in leucine catabolism. It is used as a research tool in studies of amino acid metabolism and cellular stress.
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| Enzyme Assay |
For in vitro cell-free assays, 4-Methyl-2-oxopentanoic acid can be used as a substrate for studying branched-chain amino acid aminotransferase activity or as a standard for analytical method development.
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| Cell Assay |
For in vitro cellular assays, 4-Methyl-2-oxopentanoic acid is used to study endoplasmic reticulum stress and metabolic pathways in cell lines. Cells are treated with the compound, and markers of ER stress (e.g., CHOP, BiP) are measured.
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| Animal Protocol |
4-Methyl-2-oxopentanoic acid is not typically used in animal models as a therapeutic agent. It is used in metabolic studies.
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| ADME/Pharmacokinetics |
4-Methyl-2-oxopentanoic acid (CAS 816-66-0) has a molecular formula of C6H10O3 and a molecular weight of 130.14 g/mol. It is also known as 4-Methyl-2-oxovaleric acid, 2-Oxoisocaproic acid, and Ketoleucine. Appearance: liquid. Storage: 4°C, sealed storage, away from light and moisture. Purity: 98%.
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| Toxicity/Toxicokinetics |
Toxicity Summary
Ketoleucine is a metabolite that accumulates in maple syrup urine disease (MSUD) and has been shown to impair brain energy metabolism by blocking the respiratory chain. No toxicity data is publicly available. As an endogenous metabolite, it is naturally occurring and generally considered safe at physiological concentrations. |
| References | |
| Additional Infomation |
4-Methyl-2-oxovalerate is a 2-oxomonocarboxylic acid, formed by the substitution of a ketone group at the C-2 position and a methyl group at the C-4 position for valerate. It is a metabolite found to accumulate in maple syrup urine disease (MSUD). It is a metabolite found in both humans and algae. It is a 2-oxomonocarboxylic acid and a branched-chain keto acid. Functionally, it is related to valerate. It is the conjugate acid of 4-methyl-2-oxovalerate. Ketoleucine is a metabolite found or produced in Escherichia coli (K12 strain, MG1655 strain). 4-Methyl-2-oxovalerate has been reported in hops, fruit flies, and other organisms with relevant data. Ketoleucine is a metabolite that accumulates in MSUD and has been shown to impair brain energy metabolism by blocking the respiratory chain; this is significant for understanding the pathophysiology of neurological dysfunction in MSUD patients (A3497). Ketoleucine is a metabolite found or produced in Saccharomyces cerevisiae.
4-Methyl-2-oxopentanoic acid is a research-grade compound and metabolic intermediate, not a drug. It is used in research on leucine metabolism, amino acid catabolism, and cellular stress pathways. No clinical trials have been reported. |
| Molecular Formula |
C6H10O3
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|---|---|
| Molecular Weight |
130.1418
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| Exact Mass |
130.062
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| CAS # |
816-66-0
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| Related CAS # |
4502-00-5 (hydrochloride salt);51828-95-6 (calcium salt)
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| PubChem CID |
70
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
190.5±9.0 °C at 760 mmHg
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| Melting Point |
8-10 °C
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| Flash Point |
83.3±15.2 °C
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| Vapour Pressure |
0.2±0.8 mmHg at 25°C
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| Index of Refraction |
1.438
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| LogP |
0.17
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
9
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| Complexity |
126
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C(CC(C)C)=O)O
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| InChi Key |
BKAJNAXTPSGJCU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
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| Chemical Name |
4-methyl-2-oxopentanoic 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~768.40 mM)
H2O : ~100 mg/mL (~768.40 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.21 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 (19.21 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 (19.21 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 100 mg/mL (768.40 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.6840 mL | 38.4202 mL | 76.8403 mL | |
| 5 mM | 1.5368 mL | 7.6840 mL | 15.3681 mL | |
| 10 mM | 0.7684 mL | 3.8420 mL | 7.6840 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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