title: The study of the lipophilicity of alpha-(4-phenylpiperazin-1-yl)-gamma-phthalimidobutyramides using chromatographic and computational methods.
abstract: The lipophilicity of the series of alpha-(4-phenylpiperazin-1-yl)-gamma-phthalimido-butyramides (1-8) has been investigated. Several methods, like reversed-phase thin-layer chromatography and high-performance liquid chromatography using reversed-phase RP18 and IAM.DD2 columns, were applied to determine RMO, log k0 and log k(0IAM) factors. The RP-TLC investigations were performed in mixtures of acetone-water and acetonitrile-water. For RP-HPLC method mixtures of acetonitrile, water and 0.01% TFA were used as the mobile phases while for IAM.DD2 investigations mixtures of acetonitrile and water were applied. The partition coefficients of compounds (1-8) were also calculated with the Pallas and CAChe programs. All the obtained data, both from experimental methods and computational calculations, were compared and a suitable conclusion was reached.
authors.affiliation: Department of Physicochemical Drug Analysis, Faculty of Pharmacy, Jagiellonian University Medical College, 30-688 Kraków, Medyczna 9 St, Poland. mfmalaws@cyf-kr.edu.pl
authors.forename: Barbara
authors.initials: B
authors.lastname: Malawska
authors.forename: Katarzyna
authors.initials: K
authors.lastname: Kulig
authors.forename: Adam
authors.initials: A
authors.lastname: Bucki
authors.forename: Pawel
authors.initials: P
authors.lastname: Zbek
authors.forename: Anna
authors.initials: A
authors.lastname: Wieckowska
mesh_terms: D000577:Amides / Q000737:chemistry*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D002851:Chromatography, High Pressure Liquid; D002855:Chromatography, Thin Layer; D010797:Phthalimides / Q000737:chemistry*; D010879:Piperazines / Q000737:chemistry*; D011619:Psychotropic Drugs / Q000737:chemistry*; D012984:Software; D012995:Solubility
chemical_list: D000577:Amides; D010797:Phthalimides; D010879:Piperazines; D011619:Psychotropic Drugs