Please use this identifier to cite or link to this item:
http://acervodigital.unesp.br/handle/11449/37954
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | doAmaral, A. T. | - |
dc.contributor.author | Oliveira, A. C. | - |
dc.contributor.author | Neidlein, R. | - |
dc.contributor.author | Gallacci, M. | - |
dc.contributor.author | Caprara, L. | - |
dc.contributor.author | Miyazaki, Y. | - |
dc.date.accessioned | 2014-05-20T15:28:03Z | - |
dc.date.accessioned | 2016-10-25T18:03:02Z | - |
dc.date.available | 2014-05-20T15:28:03Z | - |
dc.date.available | 2016-10-25T18:03:02Z | - |
dc.date.issued | 1997-01-01 | - |
dc.identifier | http://dx.doi.org/10.1016/S0223-5234(97)81680-7 | - |
dc.identifier.citation | European Journal of Medicinal Chemistry. Paris: Editions Scientifiques Medicales Elsevier, v. 32, n. 5, p. 433-443, 1997. | - |
dc.identifier.issn | 0223-5234 | - |
dc.identifier.uri | http://hdl.handle.net/11449/37954 | - |
dc.identifier.uri | http://acervodigital.unesp.br/handle/11449/37954 | - |
dc.description.abstract | A set of sixteen para-substituted N,N-[(dimethylamino)ethyl] benzoate hydrochlorides structurally related to procaine was synthesized. The apparent partition coefficients were determined by either shake-flask or HPLC methods and were taken as hydrophobic parameters. The IR stretching frequencies of the carbonyl group were determined in chloroform and taken as one of the electronic parameters. Additional physicochemical parameters were either taken from the literature: pi, sigma, T and R, MR4, or calculated: log P. The lethal potency was determined in the mouse via the LD50. In order to verify the nature and the relative contributions of the physicochemical parameters to lethal toxicity, QSAR equations were derived using regression analysis. A major contribution of hydrophobicity to ether with a smaller but still significant contribution of electronic or polar properties was found to a describe the toxicity within this set of compounds. | en |
dc.format.extent | 433-443 | - |
dc.language.iso | eng | - |
dc.publisher | Elsevier B.V. | - |
dc.source | Web of Science | - |
dc.subject | physicochemical parameters | pt |
dc.subject | hydrophobicity | pt |
dc.subject | para-substituted N,N-[(dimethylamino)ethyl]benzoate hydrochlorides | pt |
dc.subject | lethal toxicity | pt |
dc.subject | QSAR | pt |
dc.title | Physicochemical parameters involved in the lethal toxicity of N,N-[(dimethylamino)ethyl]-4-substituted benzoate hydrochlorides: A QSAR study | en |
dc.type | outro | - |
dc.contributor.institution | Universidade de São Paulo (USP) | - |
dc.contributor.institution | UNIV HEIDELBERG | - |
dc.contributor.institution | Universidade Estadual Paulista (UNESP) | - |
dc.description.affiliation | UNIV SAO PAULO,INST CIENCIAS BIOMED,DEPT FARMACOL,BR-05599970 SAO PAULO,SP,BRAZIL | - |
dc.description.affiliation | UNIV HEIDELBERG,INST PHARMAZEUT CHEM,D-6900 HEIDELBERG,GERMANY | - |
dc.description.affiliation | UNIV ESTADUAL PAULISTA,INST BIOCIENCIAS,DEPT FARMACOL,BR-18618000 BOTUCATU,SP,BRAZIL | - |
dc.description.affiliationUnesp | UNIV ESTADUAL PAULISTA,INST BIOCIENCIAS,DEPT FARMACOL,BR-18618000 BOTUCATU,SP,BRAZIL | - |
dc.identifier.doi | 10.1016/S0223-5234(97)81680-7 | - |
dc.identifier.wos | WOS:A1997XG37000006 | - |
dc.rights.accessRights | Acesso restrito | - |
dc.relation.ispartof | European Journal of Medicinal Chemistry | - |
Appears in Collections: | Artigos, TCCs, Teses e Dissertações da Unesp |
There are no files associated with this item.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.