| Size | Price | Stock | Qty |
|---|---|---|---|
| 1g |
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| Other Sizes |
| Targets |
Microbial Metabolite Human Endogenous Metabolite
The primary targets of sodium 3-methyl-2-oxobutanoate are enzymes involved in amino acid metabolism, particularly the branched-chain amino acid (BCAA) metabolism pathway. As the keto-analogue of valine, it is a substrate for branched-chain aminotransferase and is involved in the transamination and oxidation of branched-chain amino acids. |
|---|---|
| ln Vitro |
In Escherichia coli, alpha-ketoisovaleric acid, or sodium 3-methyl-2-oxobutanoate, is a precursor to pantothenic acid[1]. Alpha-ketoisovaleric acid, also known as sodium 3-methyl-2-oxobutanoate, increases alpha-ketoisocaproic acid and alpha-keto-beta-methyl-n-valeric acid. However, it also depletes the corresponding amino acids and results in an early decrease in ornithine and a late increase in plasma arginine[2].
In vitro, sodium 3-methyl-2-oxobutanoate is used in studies of amino acid metabolism and as a substrate for enzyme assays. It serves as a precursor for the synthesis of valine via transamination reactions and is used to study the regulation of branched-chain amino acid catabolism. The compound is also used in cell culture media as a nutrient supplement. |
| ln Vivo |
In rats, convulsions are induced by sodium 3-methyl-2-oxobutanoate (alpha-ketoisovaleric acid) via GABAergic and glutamatergic mechanisms[3].
In vivo, sodium 3-methyl-2-oxobutanoate is metabolized through the branched-chain amino acid pathway. It can be converted to valine via transamination or further oxidized to produce energy. As a keto-analogue of valine, it may be used in nutritional studies to assess amino acid metabolism and the effects of dietary interventions on BCAA homeostasis. |
| Enzyme Assay |
In vitro enzyme assays for sodium 3-methyl-2-oxobutanoate typically measure the activity of branched-chain aminotransferase (BCAT) or branched-chain α-keto acid dehydrogenase (BCKDH). The compound is used as a substrate, and the formation of valine or the decarboxylation product is monitored spectrophotometrically or by chromatographic methods to assess enzyme activity.
|
| Cell Assay |
In vitro cell experiments with sodium 3-methyl-2-oxobutanoate involve treating cell lines with the compound to study branched-chain amino acid metabolism. Cells such as hepatocytes or muscle cells are cultured with the compound, and the levels of valine, other amino acids, and metabolic intermediates are measured. The effects on gene expression of metabolic enzymes and cell signaling pathways may also be assessed.
|
| Animal Protocol |
In vivo animal experiments with sodium 3-methyl-2-oxobutanoate involve administering the compound to animal models to study branched-chain amino acid metabolism. Blood, tissue, and urine samples are collected at various time points and analyzed for the levels of the compound, valine, and other metabolites. This approach is used to study the effects of dietary interventions, disease states, or genetic manipulations on BCAA metabolism.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for sodium 3-methyl-2-oxobutanoate are limited. As a small, water-soluble alpha-keto acid salt, it is expected to be readily absorbed and distributed in the body. It is metabolized through the branched-chain amino acid pathway and excreted as metabolites. The compound is stable and commonly used as a research reagent.
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| Toxicity/Toxicokinetics |
Toxicological data for sodium 3-methyl-2-oxobutanoate are limited. As a naturally occurring metabolite and a salt of an alpha-keto acid, it is generally considered to have low toxicity. The compound is intended for research use only and not for human consumption. No comprehensive toxicological studies have been reported.
|
| References |
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| Additional Infomation |
Sodium 3-methyl-2-oxobutyrate is an oxocarboxylic acid.
Sodium 3-methyl-2-oxobutanoate is a research compound with applications in amino acid metabolism studies, enzyme assays, and nutritional research. It is used as a substrate for studying branched-chain aminotransferase and branched-chain α-keto acid dehydrogenase activities. No clinical trials or approved therapeutic indications exist for this compound. Its mechanism of action involves participation in branched-chain amino acid metabolism as the keto-analogue of valine. |
| Molecular Formula |
C5H7NAO3
|
|---|---|
| Molecular Weight |
138.10
|
| Exact Mass |
138.029
|
| CAS # |
3715-29-5
|
| Related CAS # |
3-Methyl-2-oxobutanoic acid;759-05-7;Sodium 3-methyl-2-oxobutanoate-13C4,d4;1185115-88-1;Sodium 3-methyl-2-oxobutanoate-13C2,d;1216972-87-0;Sodium 3-methyl-2-oxobutanoate-d hydrate;Sodium 3-methyl-2-oxobutanoate-13C4,d3;1215605-14-3;Sodium 3-methyl-2-oxobutanoate-13C,d4;1202865-40-4;Sodium 3-methyl-2-oxobutanoate-13C,d4-1;2483824-45-7;Sodium 3-methyl-2-oxobutanoate-13C5;1173018-24-0;3-Methyl-2-oxobutanoic acid-13C2;634908-42-2;Sodium 3-methyl-2-oxobutanoate-d7;2483831-46-3;Sodium 3-methyl-2-oxobutanoate-13C2,d4;1007477-29-3
|
| PubChem CID |
2724059
|
| Appearance |
White to light brown solid powder
|
| Boiling Point |
170.2ºC at 760 mmHg
|
| Melting Point |
220-230 °C (dec.)(lit.)
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
9
|
| Complexity |
119
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(C)C(=O)C(=O)[O-].[Na+]
|
| InChi Key |
WIQBZDCJCRFGKA-UHFFFAOYSA-M
|
| InChi Code |
InChI=1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1
|
| Chemical Name |
sodium;3-methyl-2-oxobutanoate
|
| 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)
|
| Solubility (In Vitro) |
H2O: 125 mg/mL (905.14 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (724.11 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
(Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.2411 mL | 36.2056 mL | 72.4113 mL | |
| 5 mM | 1.4482 mL | 7.2411 mL | 14.4823 mL | |
| 10 mM | 0.7241 mL | 3.6206 mL | 7.2411 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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