Nisa, Mehr-un published the artcileSynthesis of novel 5-(aroylhydrazinocarbonyl)escitalopram as cholinesterase inhibitors, Quality Control of 39115-95-2, the publication is European Journal of Medicinal Chemistry (2017), 396-406, database is CAplus and MEDLINE.
A novel series of 5-(aroylhydrazinocarbonyl)escitalopram were designed, synthesized and tested for their inhibitory potential against cholinesterases. N’-(3-Chlorobenzoyl)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbohydrazide is the most potent compound of this series having IC50 1.80 ± 0.11 μM for acetylcholinesterase (AChE) inhibition. For the butyrylcholinesterase (BChE) inhibition, N’-(2-Bromobenzoyl)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbohydrazide was the most active compound of the series with IC50 2.11 ± 0.31 μM. Structure-activity relation illustrated that mild electron donating groups enhanced enzyme inhibition while electron withdrawing groups reduced the inhibition except o-NO2. However, size and position of the substituents affected enzyme inhibitions. In docking study of AChE, the ligands N’-(3-Chlorobenzoyl)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbohydrazide, N’-(4-Chlorobenzoyl)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbohydrazide and N’-(2-Bromobenzoyl)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbohydrazide showed the scores of 5874, 5756 and 5666 and ACE of -64.92,-203.25 and -140.29 kcal/mol, resp. In case of BChE, ligands 71, 76 and 81 depicted high scores 6016, 6150 and 5994 with ACE values -170.91, -256.84 and -235.97 kcal/mol, resp.
European Journal of Medicinal Chemistry published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C7H7IN2O, Quality Control of 39115-95-2.
Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com