| Identification | Back Directory | [Name]
2-Keto-3-methylbutyric acid-13C5 sodium salt
| [CAS]
1173018-24-0 | [Synonyms]
2-Ketoisovaleric acid-13C5 sodium salt
α-Ketoisovaleric acid-13C5 sodium salt
α-Keto-3-methylbutyric acid-13C5 sodium
α-Keto Isovaleric Acid Sodium Salt 13C5
3-Methyl-2-oxobutanoic acid-13C5 sodium salt
[13C5]-2-Keto-3-methylbutyric acid sodium salt
α-Ketoisovaleric Acid, Sodium Salt (13C5, 98%)
ALPHA-KETOISOVALERIC ACID, SODIUM SALT (13C5, 98%) | [Molecular Formula]
C5H7NaO3 | [MDL Number]
MFCD09842678 | [MOL File]
1173018-24-0.mol | [Molecular Weight]
143.142 |
| Chemical Properties | Back Directory | [Melting point ]
227-230°C | [solubility ]
DMSO (Slightly), Water (Slightly) | [form ]
Solid | [color ]
White to Off-White | [InChI]
1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1/i1+1,2+1,3+1,4+1,5+1; | [InChIKey]
WIQBZDCJCRFGKA-JFGXUQBHSA-M | [SMILES]
[Na+].[13CH3][13CH]([13CH3])[13C](=O)[13C]([O-])=O | [CAS Number Unlabeled]
3715-29-5 |
| Hazard Information | Back Directory | [Uses]
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]. | [References]
[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. DOI:10.1177/1060028018797110
[2] MAAS WK, et al. alpha-Ketoisovaleric acid, a precursor of pantothenic acid in Escherichia coli. J Bacteriol. 1953 Apr;65(4):388-93. DOI:10.1128/jb.65.4.388-393.1953
[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. PMID:6366097
[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. DOI:10.1016/s0006-8993(00)03321-7 |
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