CAS 93968-79-7

2-hydroxy-5-[(2,2,2-trideuterioacetyl)amino]benzoic acid

Description:

2-Hydroxy-5-[(2,2,2-trideuterioacetyl)amino]benzoic acid, with the CAS number 93968-79-7, is a derivative of salicylic acid, characterized by the presence of a hydroxyl group and an acetylamino group. The incorporation of deuterium in the acetyl group indicates that this compound is a labeled version, which can be useful in various analytical applications, including NMR spectroscopy and metabolic studies. The hydroxyl group contributes to its acidity and potential for hydrogen bonding, while the acetylamino group enhances its solubility and reactivity. This compound may exhibit biological activity, similar to other salicylic acid derivatives, and could be involved in various biochemical pathways. Its unique isotopic labeling allows for tracking and studying its behavior in biological systems. Overall, this compound is of interest in both synthetic chemistry and pharmacology, particularly in the context of drug development and metabolic research.

Formula: C₉H₆D₃NO₄

InChI: InChI=1/C9H9NO4/c1-5(11)10-6-2-3-8(12)7(4-6)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14)/i1D3

SMILES: C(C(=Nc1ccc(c(c1)C(=O)O)O)O)([2H])([2H])[2H]

N-Acetyl-d3 Mesalamine

CAS: 93968-79-7

Formula: C₉H₆D₃NO₄

Color and Shape: White To Off-White Solid

Molecular weight: 198.19

Ref: 4Z-M-176

N-Acetyl Mesalazine-d3

Controlled Product

CAS: 93968-79-7

Stability Hygroscopic
Applications A labelled metabolite of Mesalazine. A labelled Salicylic Acid derivative. Inhibitor of recombinant human thiopurine methyltransferase (hTPMT).
References Bondesen, S., et al.: Br. J. Clin. Pharmacol., 25, 269 (1988), Brogden, R., et al.: Drugs, 38, 500 (1989), Jensen, J., et al.: Biochem. Pharmacol., 45, 1201 (1993), Liu, Z., et al.: Drug Metab. Dispos., 23, 246 (1995), Vree, T., et al.: Clin. Drug Invest., 20, 35 (2000),

Formula: C₉₂H₃H₆NO₄

Color and Shape: Neat

Molecular weight: 198.19

Ref: TR-A168322