1380089-77-9Relevant articles and documents
Discovery, design, and optimization of isoxazole azepine BET inhibitors
Gehling, Victor S.,Hewitt, Michael C.,Vaswani, Rishi G.,Leblanc, Yves,Coite, Alexandre,Nasveschuk, Christopher G.,Taylor, Alexander M.,Harmange, Jean-Christophe,Audia, James E.,Pardo, Eneida,Joshi, Shivangi,Sandy, Peter,Mertz, Jennifer A.,Sims, Robert J.,Bergeron, Louise,Bryant, Barbara M.,Bellon, Steve,Poy, Florence,Jayaram, Hariharan,Sankaranarayanan, Ravichandran,Yellapantula, Sreegouri,Bangalore Srinivasamurthy, Nandana,Birudukota, Swarnakumari,Albrecht, Brian K.
, p. 835 - 840 (2013/10/01)
The identification of a novel series of small molecule BET inhibitors is described. Using crystallographic binding modes of an amino-isoxazole fragment and known BET inhibitors, a structure-based drug design effort lead to a novel isoxazole azepine scaffold. This scaffold showed good potency in biochemical and cellular assays and oral activity in an in vivo model of BET inhibition.