Mehr-un-Nisa published the artcileSynthesis of novel triazoles and a tetrazole of escitalopram as cholinesterase inhibitors, Application In Synthesis of 39115-95-2, the publication is Bioorganic & Medicinal Chemistry (2015), 23(17), 6014-6024, database is CAplus and MEDLINE.
A novel series of escitalopram triazoles I and a tetrazole II have been synthesized and subjected to a study to establish the inhibitory potential of these compounds toward acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). Some selectivity in inhibition has been observed The compound I (R = 4-Cl, IC50, 6.71 ± 0.25 μM) and I (R = 2-Me, 70, IC50, 9.52 ± 0.23 μM) escitalopram triazole derivatives depicted high AChE inhibition, while compound I (R = 2-F, IC50 = 4.52 ± 0.17 μM) and I (r = 4-F, IC50 = 5.31 ± 0.43 μM) have found to be excellent BChE inhibitors. It has also been observed that ortho, meta and para substituted electron donating groups increase the inhibition, while electron withdrawing groups reduce the inhibition. Docking analyses of inhibitors with AChE have depicted the binding energies for I (R = 2-Me, 4-Cl) as ΔGbind -6.42 and -6.93 kcal/mol, resp., while ligands I (R = 2-F, 4-F) have shown the binding affinity ΔGbind -9.04 and -8.51 kcal/mol, resp., for BChE.
Bioorganic & 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, Application In Synthesis of 39115-95-2.
Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com