Cridanimod

A new Et 5-(2-(9-oxoacridin-10(9H)-yl)acetamido) thiophene-2-carboxylate (EATPC) and Et 2-(2-(9-oxoacridin-10(9H)-yl)acetamido)thiazole-5-carboxylate (EATZC) acridone derivatives were successfully synthesized and described using NMR, UV-Vis and FTIR spectroscopy approaches.The theor. calculations were computed using Gaussian 09 W software employing DFT/TD-DFT/B3LYP methods with a basis set of 6-311+G (d,p).The calculated and observed spectroscopy results are compared and discussed, demonstrating the reliability of the developed structure of compoundsThe natural bond orbital, mol. electrostatic potential, physicochem. descriptors and HOMO-LUMO energies were all calculated and thoroughly discussed in the present study.EATPC and EATZC were tested for antiproliferative capabilities against human breast cancer (MCF-7) cell lines by employing the MTT assay.Furthermore, mol. docking analyses were performed to determine the compound′s most active binding sites to the target protein.The mols. EATPC and EATZC are docked with the 4E28 protein, yielding free binding energy energies of -7.8 and -7.9 kcal/mol.This study is unique in that it is the first in-depth report on the comprehensive biol. and theor. evaluation of these title compounds

A Pd‐catalyzed oxidative dual C−H carbonylation has been developed starting from commercially available diarylamines, in which the Cr(CO)6 served as a safe carbonyl source. This method provides a facile and atom‐economic approach toward diversified acridone derivatives in moderate to good yields, which features with good functional group compatibility, operational safety and easy scale‐up.