5-(3-fluorophenyl)-2-(2-iodophenylamino)-1,3,4-thiadiazole

5-(3-fluorophenyl)-2-(2-iodophenylamino)-1,3,4-thiadiazole, also referred to as compound B3, is an experimental nonsteroidal aromatase inhibitor. It belongs to a class of 1,3,4-thiadiazole derivatives designed to target hormone-dependent cancers by inhibiting the biosynthesis of estrogen. The compound features a thiadiazole core substituted with a 3-fluorophenyl group at the 5-position and a 2-iodophenylamino group at the 2-position. In preclinical studies, it has demonstrated selective cytotoxic activity against estrogen-dependent breast cancer cell lines (such as MCF-7) with an IC50 of approximately 52-55 µM, while showing significantly lower activity against estrogen-independent cells (MDA-MB-231). Molecular docking and dynamics simulations indicate that the drug occupies the active binding site of the aromatase enzyme, mimicking the interactions of native inhibitors and effectively blocking the conversion of androgens to estrogens.

Other names

N-(2-iodophenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine