3,5-Di-bromo-4-carbamoyl-benzoic acid 2-propanol monosolvate.

In the title solvated crystal, CHBrNO·CHO, the acid mol-ecules form inversion dimers by pairwise N-H⋯O hydrogen bonds between carbamoyl groups and the carboxyl and carbamoyl groups link to form head-to-tail inversion dimers. The 2-propanol hydroxyl group inter-poses between adjacent head-tail pairs, resulting in (10) chains of hydrogen bonds propagating along [100]. The mol-ecules of 2-propanol are disordered over two sets of sites in a 0.

Crystal structures of methyl 3,5-di-bromo-4-cyano-benzoate and methyl 3,5-di-bromo-4-iso-cyano-benzoate.

The title crystals, CHBrNO, are the first reported 2,6-dihalophenyl cyanide-isocyanide pair that have neither three- nor two-dimensional isomorphism. Both crystals contain contacts between the carbonyl O atom and a Br atom. In the crystal of the cyanide, (10) inversion dimers form based on C≡N⋯Br contacts, a common packing feature in this series of crystals.

BET Bromodomain Inhibitors with One-Step Synthesis Discovered from Virtual Screen.

Chemical inhibition of epigenetic regulatory proteins BrdT and Brd4 is emerging as a promising therapeutic strategy in contraception, cancer, and heart disease. We report an easily synthesized dihydropyridopyrimidine pan-BET inhibitor scaffold, which was uncovered via a virtual screen followed by testing in a fluorescence anisotropy assay. Dihydropyridopyimidine 3 was subjected to further characterization and is highly selective for the BET family of bromodomains.