Schoene, Jens; Gazzi, Thais; Lindemann, Peter; Christmann, Mathias; Volkamer, Andrea; Nazare, Marc published the artcile< Probing 2H-Indazoles as Templates for SGK1, Tie2, and SRC Kinase Inhibitors>, Computed Properties of 112-63-0, the main research area is nitrogen heterocycle indazole synthesis SGK1 Tie2 SRC kinase; docking; drug design; focused library; kinase inhibition; nitrogen heterocycles; scaffolds.
The broader and systematic application of a novel scaffold is often hampered by the unavailability of a short and reliable synthetic access. We investigated a new strategy for the design and synthesis of an array of N2-substituted aza-2H-indazole derivatives as potential kinase inhibitors. Guided by a rational ligand alignment approach to qualify the so-far underrepresented aza-2H-indazole scaffold, indazoles were connected at the N2 position with a Ph spacer and an arylsulfonamide or amide linkage. Initial profiling against a panel of 30 kinases confirmed the in silico predicted selectivity bias. A synthesized focused library of 52 different aza-2H-indazole derivatives showed good initial selective inhibition against SGK1, Tie2, and SRC kinases, with the best representatives having IC50 values in the range of 500 nM. In a comparative computational study, these data were analyzed and rationalized in light of docking studies.
ChemMedChem published new progress about Drug targets. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics