CAS 852217-73-3

2-[[6-Amino-3-cyano-5-[(methylamino)carbonyl]-2-pyridinyl]thio]acetic acid

Description:

2-[[6-Amino-3-cyano-5-[(methylamino)carbonyl]-2-pyridinyl]thio]acetic acid, identified by its CAS number 852217-73-3, is a chemical compound characterized by its complex structure, which includes a pyridine ring substituted with various functional groups. This compound features an amino group, a cyano group, and a thioacetic acid moiety, contributing to its potential biological activity. The presence of the methylamino group suggests that it may exhibit properties relevant to medicinal chemistry, possibly influencing its solubility and reactivity. The thioacetic acid component indicates potential for interactions with biological systems, particularly in enzyme inhibition or modulation. Its structural complexity may also suggest specific binding affinities or mechanisms of action in pharmacological contexts. Overall, this compound's unique combination of functional groups positions it as a candidate for further research in drug development or biochemical applications, although specific properties such as solubility, stability, and reactivity would require empirical investigation for comprehensive understanding.

Formula: C₁₀H₁₀N₄O₃S

InChI: InChI=1S/C10H10N4O3S/c1-13-9(17)6-2-5(3-11)10(14-8(6)12)18-4-7(15)16/h2H,4H2,1H3,(H2,12,14)(H,13,17)(H,15,16)

InChI key: InChIKey=IVPQKRXIDREOJU-UHFFFAOYSA-N

SMILES: C(NC)(=O)C=1C=C(C#N)C(SCC(O)=O)=NC1N

Synonyms:

• 2-[[6-Amino-3-cyano-5-[(methylamino)carbonyl]-2-pyridinyl]thio]acetic acid
• Acetic acid, 2-[[6-amino-3-cyano-5-[(methylamino)carbonyl]-2-pyridinyl]thio]-
• Acetic acid, [[6-amino-3-cyano-5-[(methylamino)carbonyl]-2-pyridinyl]thio]-