title: Synthesis, lipophilicity study and in vitro evaluation of some rodenticides as acetylcholinesterase reversible inhibitors.
abstract: The anti-AChE activity of phosphoramidates has been noticed for many years. Because of the wide application of phosphoramidates in recent years, there has been a continuing research for synthesis, purification and identification of effective and safe derivatives. In this study some rodenticides with the general formula Me(2)NP(O)(p-OC(6)H(4)-X)(2), where X = H, CH(3), Cl, have been synthesized in water (without organic solvent) and characterized by (31)P, (31)P {(1)H}, (13)C and (1)H NMR spectroscopy. Since lipophilicity has been recognized for its importance in QSAR studies, efforts have been made to determine the logP values. The ability of these rodenticides to inhibit human acetylcholinesterase (hAChE) has been predicted with PASS (Prediction of Activity Spectra for Substances) software (version 1.917) and then has been evaluated by a modified Ellman's assay and spectrophotometric measurements.
authors.affiliation: Department of chemistry, Imam Hossein University, Tehran, Iran. ghadimi_saied@yahoo.com
authors.forename: Saied
authors.initials: S
authors.lastname: Ghadimi
authors.forename: Seyed Latif
authors.initials: SL
authors.lastname: Mousavi
authors.forename: Zahra
authors.initials: Z
authors.lastname: Javani
mesh_terms: D000110:Acetylcholinesterase / Q000378:metabolism*; D002800:Cholinesterase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D003198:Computer Simulation; D057927:Hydrophobic and Hydrophilic Interactions; D008055:Lipids / Q000737:chemistry*; D015394:Molecular Structure; D012378:Rodenticides / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D013329:Structure-Activity Relationship
chemical_list: D002800:Cholinesterase Inhibitors; D008055:Lipids; D012378:Rodenticides; D000110:Acetylcholinesterase