Sodium 3-methyl-2-oxobutanoate-13C5

• CAT Number: I041515
• CAS Number: 1173018-24-0
• Molecular Formula: 13C5H7NaO3
• Molecular Weight: 143.06
• Purity: ≥95%
• InChI: InChI=1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/i1+1,2+1,3+1,4+1,5+1
• InChIKey: ZYUOMWUHRSDZMY-JFGXUQBHSA-N
• SMILES: CC(C)C(=O)C(=O)O.[Na]

Sodium 3-methyl-2-oxobutanoate-13C5 is the 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].
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].

Reference

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.
 [Content Brief]

[2]. MAAS WK, et al. alpha-Ketoisovaleric acid, a precursor of pantothenic acid in Escherichia coli. J Bacteriol. 1953 Apr;65(4):388-93.
 [Content Brief]

[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.
 [Content Brief]

[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.
 [Content Brief]