5i

5i is a synthetic small molecule belonging to the dialkyl (4-amino-5H-chromeno[2,3-d]pyrimidin-5-yl)phosphonate class, developed as a multi-faceted antitumor agent. It was designed by integrating chromene, pyrimidine, and phosphonate scaffolds into a single molecular core. In vitro studies have demonstrated that 5i possesses significant antiproliferative activity against several cancer cell lines, including lung (A549), prostate (DU-145, PC-3), cervical (HeLa), and breast (MCF-7) cancers. Its mechanism of action involves the inhibition of Carbonic Anhydrase II (CA2) by interacting with histidine residues within the enzyme's active site. Additionally, 5i exhibits favorable ADMET properties, including potential blood-brain barrier (BBB) permeability and neuroprotective effects, suggesting its potential utility in treating CNS-related malignancies or neurodegenerative conditions.

Other names

dialkyl (4-amino-5H-chromeno[2,3-d]pyrimidin-5-yl)phosphonate 5ichromeno-pyrimidinyl phosphonate 5i