| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| 500mg |
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| Other Sizes |
| Targets |
3-Methyl-2-oxovaleric acid sodium does not have a defined pharmacological target. It is a biochemical reagent used as a substrate to study the specificity, distribution, and kinetics of α-keto acid dehydrogenases. The compound is used to inhibit the mitochondrial α-ketoglutarate dehydrogenase complex. It serves as a biomarker for mustard airway disease (MAD) and uric acid stones.
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|---|---|
| ln Vitro |
In life science-related study, 3-methyl-2-oxovaleric acid (sodium) can be utilized as an organic substance or biological material.
In vitro, 3-methyl-2-oxovaleric acid sodium is used as a substrate in enzyme assays to measure the activity of α-keto acid dehydrogenases. It is used as an analytical reagent for the detection and quantification of 2-ketoacids. The compound can also be used as a reactive oxygen species scavenger. Its primary applications are in biochemical research and clinical diagnostics. |
| ln Vivo |
In vivo, 3-methyl-2-oxovaleric acid sodium serves as a biomarker for mustard airway disease (MAD) and uric acid stones. The compound is a degradation product of isoleucine and is involved in amino acid metabolism. Specific in vivo pharmacokinetic and pharmacodynamic data for the compound as a therapeutic agent are not available, as it is primarily used as a biomarker and research reagent.
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| Enzyme Assay |
For in vitro enzyme assays, 3-methyl-2-oxovaleric acid sodium is used as a substrate to study α-keto acid dehydrogenases. Standard protocols involve incubating the compound with the enzyme preparation in appropriate buffer and measuring the production of the corresponding decarboxylation product or the reduction of NAD⁺ to NADH spectrophotometrically. The compound can also be used in assays to measure branched-chain amino acid metabolism.
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| Cell Assay |
For in vitro cell-based experiments, 3-methyl-2-oxovaleric acid sodium is not typically used as a test compound for therapeutic applications. It is a biochemical reagent and biomarker used in research and clinical diagnostics. The compound may be used in studies of amino acid metabolism and mitochondrial function in cultured cells.
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| Animal Protocol |
In vivo animal studies using 3-methyl-2-oxovaleric acid sodium are typically conducted in the context of biomarker research. The compound is measured in biological samples (e.g., blood, urine) as a marker of metabolic disorders or disease states. The compound is not administered for therapeutic purposes.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-methyl-2-oxovaleric acid sodium are not characterized as a drug. As an endogenous metabolite (degradation product of isoleucine), it is produced and metabolized in the body as part of normal amino acid metabolism. Its levels in biological fluids reflect metabolic status rather than pharmacokinetic parameters of an administered drug.
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| Toxicity/Toxicokinetics |
3-Methyl-2-oxovaleric acid sodium is a research chemical and should be handled with appropriate laboratory safety precautions. As a biochemical reagent, it has low toxicity. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment.
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| References | |
| Additional Infomation |
3-Methyl-2-oxovaleric acid sodium (Sodium 3-methyl-2-oxovalerate, CAS 3715-31-9) is primarily a research-grade biochemical reagent and biomarker, not an FDA-approved pharmaceutical drug. Its primary applications are as a substrate for studying α-keto acid dehydrogenases, as an analytical reagent for 2-ketoacid detection, and as a biomarker for mustard airway disease and uric acid stones. No clinical trials or approved therapeutic indications exist for this compound.
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| Molecular Formula |
C6H9NAO3
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|---|---|
| Molecular Weight |
152.12
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| Exact Mass |
152.045
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| CAS # |
3715-31-9
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| Related CAS # |
3-Methyl-2-oxovaleric acid-d8 sodium;1795037-03-4
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| PubChem CID |
2724058
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| Appearance |
White to off-white solid powder
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| Melting Point |
204-206 ℃(lit.)
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
10
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| Complexity |
133
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[Na+].O=C(C(=O)[O-])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
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| InChi Key |
SMDJDLCNOXJGKC-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C6H10O3.Na/c1-3-4(2)5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1
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| Chemical Name |
sodium;3-methyl-2-oxopentanoate
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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: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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: ~50 mg/mL (~328.7 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.67 mg/mL (4.40 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (6.7 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 0.67 mg/mL (4.40 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 DMSO stock solution (6.7 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 0.67 mg/mL (4.40 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (6.7 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.5738 mL | 32.8688 mL | 65.7376 mL | |
| 5 mM | 1.3148 mL | 6.5738 mL | 13.1475 mL | |
| 10 mM | 0.6574 mL | 3.2869 mL | 6.5738 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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