Structural characterization of two novel potential anticholinesterasic agents

dc.creatorOliveira, PR
dc.creatorWiectzycosky, F
dc.creatorBasso, EA
dc.creatorGoncalvesc, RAC
dc.creatorPontes, RM
dc.date2003
dc.dateSEP 10
dc.date2014-11-15T19:21:33Z
dc.date2015-11-26T17:21:35Z
dc.date2014-11-15T19:21:33Z
dc.date2015-11-26T17:21:35Z
dc.date.accessioned2018-03-29T00:09:05Z
dc.date.available2018-03-29T00:09:05Z
dc.identifierJournal Of Molecular Structure. Elsevier Science Bv, v. 657, n. 41699, n. 191, n. 198, 2003.
dc.identifier0022-2860
dc.identifierWOS:000185420500021
dc.identifier10.1016/S0022-2860(03)00367-3
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/79187
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/79187
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/79187
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1283401
dc.descriptionTwo novel compounds with possible anticholinesterase activity have been synthesized containing a carbamate and a dimethylamine group in 1,2-positions of a cyclohexane ring (cis and trans isomers). Conformer populations were established by a combination of NMR H-1 coupling constant analysis and DFT (B3LYP/6-311 + G(d,p)) calculations. C-13 chemical shifts were calculated in order to confirm signal attributions. The cis isomer adopts a conformation in which the carbamate group lies at the axial position (>99%), whereas the trans isomer adopts a diequatorial arrangement (98%). These preferences have been explained in terms of syn-1,3-diaxial interactions of the individual groups. (C) 2003 Elsevier B.V. All rights reserved.
dc.description657
dc.description41699
dc.description191
dc.description198
dc.languageen
dc.publisherElsevier Science Bv
dc.publisherAmsterdam
dc.publisherHolanda
dc.relationJournal Of Molecular Structure
dc.relationJ. Mol. Struct.
dc.rightsfechado
dc.rightshttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dc.sourceWeb of Science
dc.subjectanticholinesterasic
dc.subjectsynthesis
dc.subjectconformational analysis
dc.subjectnuclear magnetic resonance
dc.subjecttheoretical calculations
dc.subjectNuclear-magnetic-resonance
dc.subjectConformational-analysis
dc.subjectHartree-fock
dc.subjectDensity
dc.subjectNmr
dc.subjectAcetylcholinesterase
dc.subjectNeostigmine
dc.titleStructural characterization of two novel potential anticholinesterasic agents
dc.typeArtículos de revistas


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