| Size | Price | Stock | Qty |
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| 5g |
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| Other Sizes |
| Targets |
Sodium 2-oxobutanoate is a key endogenous metabolic intermediate in amino acid catabolism pathways, including the metabolism of threonine, methionine, and other amino acids. It is the only α-keto acid capable of substituting for pyruvate as a substrate in the overall reaction of the pyruvate dehydrogenase complex from E. coli. The compound is involved in glycine and serine metabolism, propanoate metabolism, and selenoamino acid metabolism.
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| ln Vitro |
A biochemical reagent called sodium 2-oxobutanoate can be utilized in life science research as an organic substance or biological material.
In vitro, sodium 2-oxobutanoate is used as a biochemical reagent and metabolic intermediate. It serves as a substrate in enzyme assays to study the specificity, distribution, and kinetics of α-keto acid dehydrogenases. The compound is commonly used as a food additive and acidity regulator, leavening agent, and preservative. It can be used in biochemical experiments and drug synthesis research. |
| ln Vivo |
In vivo, sodium 2-oxobutanoate is a key endogenous metabolic intermediate involved in amino acid catabolism. It plays a role in the metabolism of threonine, methionine, and other amino acids. The compound is also used as a food additive and preservative. Specific in vivo pharmacokinetic and pharmacodynamic data for the compound as a therapeutic agent are not available, as it is primarily used as a metabolic intermediate and food additive.
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| Enzyme Assay |
For in vitro enzyme assays, sodium 2-oxobutanoate 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 study amino acid metabolism pathways.
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| Cell Assay |
For in vitro cell-based experiments, sodium 2-oxobutanoate is not typically used as a test compound for therapeutic applications. It is a metabolic intermediate and biochemical reagent used in studies of cellular metabolism. Cells can be cultured with the compound to study its effects on metabolic pathways, particularly amino acid catabolism and energy metabolism.
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| Animal Protocol |
In vivo animal studies using sodium 2-oxobutanoate are typically conducted in the context of metabolism research. The compound is administered to animals to study its effects on metabolic pathways or to trace metabolic flux. Standard in vivo protocols involve administration to rodents via oral gavage or intravenous injection, with measurement of metabolic parameters and metabolite levels in blood and tissues.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of sodium 2-oxobutanoate are not characterized as a drug. As an endogenous metabolic intermediate, 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. The compound's rapid metabolism makes it unsuitable as a drug candidate.
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| Toxicity/Toxicokinetics |
Sodium 2-oxobutanoate is generally recognized as safe for use as a food additive. As a biochemical reagent, it has low toxicity. The compound is for research and food use, not for human therapeutic applications as a drug. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are available from safety data sheets. Standard safety practices include the use of personal protective equipment.
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| Additional Infomation |
Sodium 2-oxobutanoate (Sodium 2-oxobutyrate, CAS 2013-26-5) is primarily a research-grade biochemical reagent and food additive, not an FDA-approved pharmaceutical drug. Its primary applications are as an acidity regulator, leavening agent, and preservative in food, and as a substrate for studying amino acid metabolism and α-keto acid dehydrogenases. No clinical trials or approved therapeutic indications exist.
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| Molecular Formula |
C4H5NAO3
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|---|---|
| Molecular Weight |
124.07
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| Exact Mass |
124.013
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| CAS # |
2013-26-5
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| Related CAS # |
Sodium 2-oxobutanoate-13C4,d2 hydrate;1049736-26-6;Sodium 2-oxobutanoate-d2 hydrate;Sodium 2-oxobutanoate-13C4,d2;360769-17-1;Sodium 2-oxobutanoate-13C hydrate;634908-43-3;Sodium 2-oxobutanoate-13C,d2;1189500-69-3;Sodium 2-oxobutanoate-13C,d4;2483824-49-1;Sodium 2-oxobutanoate-13C4;2483736-24-7
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| PubChem CID |
23673454
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| Appearance |
White to off-white solid powder
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| Density |
1.182g/cm3
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| Boiling Point |
177.8ºC at 760mmHg
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| Melting Point |
210°C
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| Flash Point |
65ºC
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| Vapour Pressure |
0.0331mmHg at 25°C
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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 |
2
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| Heavy Atom Count |
8
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| Complexity |
99.5
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[Na+].O=C(C(=O)[O-])C([H])([H])C([H])([H])[H]
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| InChi Key |
SUAMAHKUSIHRMR-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C4H6O3.Na/c1-2-3(5)4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1
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| Chemical Name |
sodium;2-oxobutanoate
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.0600 mL | 40.2998 mL | 80.5997 mL | |
| 5 mM | 1.6120 mL | 8.0600 mL | 16.1199 mL | |
| 10 mM | 0.8060 mL | 4.0300 mL | 8.0600 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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