Bhandu, Priyanka; Verma, Himanshu; Singh, Manmeet; Kumar, Manoj; Narendra, Gera; Choudhary, Shalki; Singh, Pankaj Kumar; Silakari, Om published the artcile< Rational designing of quinazolin-4(3H)-one based ALR2 inhibitors: Synthesis and biological evaluation>, COA of Formula: C7H6Cl2, the main research area is quinazolinone benzyl chloride nucleophilic substitution reaction; benzyl quinazolinone preparation ALR2 inhibition SAR mol docking.
Herein, using scaffold hoping, quinazolin-4(3H)-one was obtained as one of the top bioisostere with good BIF, shape and field scores. The designed inhouse library of quinazolin-4(3H)-one was studied for their SAR profile based on the developed qual. model via Activity atlas option. Important field points i.e., pos. and neg. electrostatics along with shape properties were analyzed that are crucial for ALR2 inhibitory activity. Some structure-based approaches including mol. docking and dynamics also suggested that the designed quinazolin-4(3H)-one based derivatives can be putative ALR2 inhibitors. These mols. were synthesized and evaluated for in-vitro ALR2 inhibitory activity. It was observed that compound three of the compounds were most potent inhibitors with IC50 values of 2.56 ± 0.03, 1.72 ± 0.02 and 1.47 ± 0.03μM, resp. Addnl., the predicted ADMET properties were also found to be favorable in comparison to Zenarestat.
Journal of Molecular Structure published new progress about Aralkyl chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 611-19-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2, COA of Formula: C7H6Cl2.
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics