Zeng, Fanxin published the artcileDesign, Synthesis and Bioactivity Evaluation of Coumarin-BMT Hybrids as New Acetylcholinesterase Inhibitors, Name: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is tetrahydromethanoacridinyl aminoalkylcarboxamido coumarin preparation acetylcholinesterase inhibition kinetics SAR docking; acetylcholinesterase inhibitors; bioactivity evaluation; coumarin–BMT hybrids; molecular docking.
The compound bridge methylene tacrine (BMT) was synthesized, which has the classical pharmacophore structure of Tacrine (THA). Based on the principle of active substructure splicing, BMT was used as a lead compound and synthesized coumarin-BMT hybrids I [n = 5, 6, 7; R1 = H, Me, MeO, F3CO, Br; R2 = H, MeO] by introducing coumarin to BMT. In this work, 21 novel hybrids of BMT and coumarin I were synthesized and evaluated for their inhibitory activity on AChE. All obtained compounds I presented preferable inhibition. Compound I [n = 6, R1 = Me, R2 = H] was the most active compound, with the value of Ki as 49.2 nM, which was higher than Galantamine (GAL) and lower than THA. The result of mol. docking showed that the highest binding free energy was -40.43 kcal/mol for compound I [n = 6, R1 = Me, R2 = H] which was an identical trend with the calculated Ki.
Molecules published new progress about Aminoacridines Role: PAC (Pharmacological Activity), PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), RACT (Reactant or Reagent), PREP (Preparation), USES (Uses). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Name: 2-Aminobenzonitrile(Flakes or Chunks).
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts