CAS 852389-13-0

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

Description:

2-[[6-Amino-3-cyano-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetic acid, with the CAS number 852389-13-0, is a chemical compound characterized by its complex structure, which includes a pyridine ring, an amino group, and a thioacetic acid moiety. This compound features a cyano group and a phenylamino carbonyl substituent, contributing to its potential biological activity. The presence of the thio group suggests that it may participate in various chemical reactions, including nucleophilic substitutions and redox processes. Its molecular structure indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. The compound's solubility, stability, and reactivity can be influenced by the functional groups present, making it a candidate for further research in drug design and synthesis. As with many compounds containing nitrogen and sulfur, it may exhibit unique properties such as varying pKa values, which can affect its behavior in biological systems.

Formula: C₁₅H₁₂N₄O₃S

InChI: InChI=1S/C15H12N4O3S/c16-7-9-6-11(13(17)19-15(9)23-8-12(20)21)14(22)18-10-4-2-1-3-5-10/h1-6H,8H2,(H2,17,19)(H,18,22)(H,20,21)

InChI key: InChIKey=RLAMKVPZSGEWFT-UHFFFAOYSA-N

SMILES: S(CC(O)=O)C1=C(C#N)C=C(C(NC2=CC=CC=C2)=O)C(N)=N1

Synonyms:

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