CAS 122664-96-4

4-(2-amino-1-methylimidazo(4,5-b)pyrid-6-yl)phenyl sulfate

Description:

4-(2-amino-1-methylimidazo(4,5-b)pyrid-6-yl)phenyl sulfate, with the CAS number 122664-96-4, is a chemical compound that features a complex structure incorporating both an imidazo-pyridine moiety and a phenyl sulfate group. This compound is characterized by its potential biological activity, particularly in the context of mutagenicity and carcinogenicity, as it is derived from heterocyclic amines, which are known to be formed during the cooking of certain foods. The presence of the amino group and the sulfate moiety suggests that it may participate in various chemical reactions, including nucleophilic substitutions and conjugation reactions. Its solubility and stability can be influenced by the pH of the environment, and it may exhibit specific interactions with biological macromolecules, such as proteins and nucleic acids. Due to its structural features, this compound may be of interest in pharmacological studies, toxicology, and environmental chemistry, particularly in assessing the risks associated with exposure to food-derived mutagens.

Formula: C₁₃H₁₂N₄O₄S

InChI: InChI=1/C13H12N4O4S/c1-17-11-6-9(7-15-12(11)16-13(17)14)8-2-4-10(5-3-8)21-22(18,19)20/h2-7H,1H3,(H2,14,15,16)(H,18,19,20)

SMILES: Cn1c2cc(cnc2[nH]c1=N)c1ccc(cc1)OS(=O)(=O)O

Synonyms:

• 4-Phip sulfate
• Phenol, 4-(2-amino-1-methyl-1H-imidazo(4,5-b)pyridin-6-yl)-, hydrogen sulfate (ester)
• 4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenyl hydrogen sulfate
• 4-(2-Amino-1-methylimidazo(4,5-b)pyrid-6-yl)phenyl sulfate

4’-Hydroxy-PhIP-O-sulfate

Controlled Product

CAS: 122664-96-4

Formula: C₁₃H₁₂N₄O₄S

Color and Shape: Neat

Molecular weight: 320.32

Ref: TR-H951600