CAS 219965-90-9

(2R)-2-acetamido-3-(2,3,4-trihydroxybutylsulfanyl)propanoic acid

Description:

(2R)-2-acetamido-3-(2,3,4-trihydroxybutylsulfanyl)propanoic acid, with the CAS number 219965-90-9, is an amino acid derivative characterized by the presence of an acetamido group and a sulfanyl moiety attached to a propanoic acid backbone. This compound features a chiral center at the second carbon, indicating that it exists in a specific stereoisomeric form. The presence of the trihydroxybutyl group suggests that it has multiple hydroxyl functional groups, which can contribute to its solubility in water and potential for hydrogen bonding. The sulfanyl group introduces a thiol functionality, which may impart unique reactivity and biological properties. Overall, this compound may exhibit interesting biochemical activities, potentially serving as a building block in the synthesis of more complex molecules or as a functional agent in various applications, including pharmaceuticals or biochemistry. Its structural complexity and functional groups suggest that it could participate in various chemical reactions, making it a subject of interest in both synthetic and medicinal chemistry.

Formula: C₉H₁₇NO₆S

InChI: InChI=1/C9H17NO6S/c1-5(12)10-6(9(15)16)3-17-4-8(14)7(13)2-11/h6-8,11,13-14H,2-4H2,1H3,(H,10,12)(H,15,16)/t6-,7?,8?/m0/s1

SMILES: CC(=N[C@@H](CSCC(C(CO)O)O)C(=O)O)O

S-(2,3,4-Trihydroxybutyl)mercapturic Acid (Mixture of Diastereomers)

Controlled Product

CAS: 219965-90-9

Applications A metabolite of butadiene and butadiene monoepoxide; relevance to cancer susceptibility.
References Gray, J., et al.: Xenobiotica, 1, 55 (1971), Cheng, X., et al.: Drug Metab. Dispos., 21, 121 (1993), Bechtold, W., et al.: Toxicol Appl., Pharmacol., 127, 44 (1994), Acquavella, J., et al.: Toxicology, 113, 148 (1996), Nieusma, J., et al.: Chem. Res. Toxicol., 10, 450 (1997),

Formula: C₉H₁₇NO₆S

Color and Shape: Neat

Molecular weight: 267.30

Ref: TR-T795040