Wang, Lan; Stanley, Mark; Boggs, Jason W.; Crawford, Terry D.; Bravo, Brandon J.; Giannetti, Anthony M.; Harris, Seth F.; Magnuson, Steven R.; Nonomiya, Jim; Schmidt, Stephen; Wu, Ping; Ye, Weilan; Gould, Stephen E.; Murray, Lesley J.; Ndubaku, Chudi O.; Chen, Huifen published the artcile< Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors>, Quality Control of 229009-40-9, the main research area is fragment identification pyrrolo triazine MAP4K4 inhibitor; Fragment-based lead discovery; Kinase inhibitors; MAP4K4; P-loop conformation; Pyrrolotriazine.
MAP4K4 has been shown to regulate key cellular processes that are tied to disease pathogenesis. In an effort to generate small mol. MAP4K4 inhibitors, a fragment-based screen was carried out and a pyrrolotriazine fragment with excellent ligand efficiency was identified. Further modification of this fragment guided by X-ray crystal structures and mol. modeling led to the discovery of a series of promising compounds with good structural diversity and physicochem. properties. These compounds exhibited single digit nanomolar potency and compounds 35 and 44 achieved good in vivo exposure.
Bioorganic & Medicinal Chemistry Letters published new progress about Crystal structure. 229009-40-9 belongs to class piperazines, and the molecular formula is C11H17BN2O2, Quality Control of 229009-40-9.
Referemce:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics