CAS 1202865-40-4|Sodium 3-methyl-2-oxobutanoate-13C,d4
Introduction：Basic information about CAS 1202865-40-4|Sodium 3-methyl-2-oxobutanoate-13C,d4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Sodium 3-methyl-2-oxobutanoate-13C,d4 | ||
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| CAS Number | 1202865-40-4 | Molecular Weight | 139.09000 |
| Density | / | Boiling Point | / |
| Molecular Formula | C5H7NaO3 | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | / |
Names
| Name | sodium,3-methyl-2-oxobutanoate |
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Sodium 3-methyl-2-oxobutanoate-13C,d4 BiologicalActivity
| Description | Sodium 3-methyl-2-oxobutanoate-13C,d4 is the deuterium and 13C labeled Sodium 3-methyl-2-oxobutanoate[1]. Sodium 3-methyl-2-oxobutanoate is a precursor of pantothenic acid in Escherichia coli[2][3][4]. |
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| Related Catalog | Research Areas >>Others |
| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. MAAS WK, et al. alpha-Ketoisovaleric acid, a precursor of pantothenic acid in Escherichia coli. J Bacteriol. 1953 Apr;65(4):388-93. [3]. Schauder P, et al. Oral administration of alpha-ketoisovaleric acid or valine in humans: blood kinetics and biochemical effects. J Lab Clin Med. 1984 Apr103(4):597-605. [4]. Coitinho AS, et al. Pharmacological evidence that alpha-ketoisovaleric acid induces convulsions through GABAergic and glutamatergic mechanisms in rats. Brain Res. 2001 Mar 9894(1):68-73. |
Chemical & Physical Properties
| Molecular Formula | C5H7NaO3 |
|---|---|
| Molecular Weight | 139.09000 |
| Exact Mass | 139.03300 |
| PSA | 57.20000 |
| InChIKey | WIQBZDCJCRFGKA-YTBWXGASSA-M |
| SMILES | CC(C)C(=O)C(=O)[O-].[Na+] |
