Facultad de Medicina
Permanent URI for this communityhttps://hdl.handle.net/10637/56
Search Results
- Design and synthesis of simplified sordaricin derivatives as inhibitors of fungal protein synthesis
1999-10-31 A reduction of the tetracyclic skeleton of sordarins and sordaricins to a cyclopentane ring bearing the pharmacophore functional groups led to new derivatives retaining part of their in vitro and whole-cell activity.
- Conformation of 5,6,11,12-tetrahydrodibenzo [a,e ] cyclooctene : an experimental and theoretical NMR study
1998-10-30 Hybrid ab initio calculations (GIAO/B3LYP/6-31G*) together with new DNMR experiments (1H and 13C) have been used to clarify the problem of the conformation of 5,6,11,12-tetrahydrodibenzo[a,e]cyclooctene. The carbon-13 chemical shifts have been assigned unambiguously to the chair C and twist-boat TB conformations. Lineshape analysis of the 1H NMR spectra has been carried out at several temperatures using an estimated set of Karplus-type vicinal coupling constants.
- Conformational analysis of heterocyclic analogues of 5,6,11,12-tetrahydrodibenzo[a,e]cycloctene : 6,7,14,15-tetrhydrobisbenzimidano[1,2-a:1',2'-e][1,5]diazocine and 6,7,13,14-tetrahydrobispyrido[1,2-a:1',2'-e] diazocinediium dibromide
1998-10-30 The IH and I3C NMR spectra of the title compounds have been recorded. While the spectrum of 6,7,14,15-tetrahydrobisbenzimidazo[ 1,2-a: l',2'-e] [ i ,5]diazoeine 3 does not show any dependence with the temperature in the studied range (-65 to +75 "C), that of 6,7,13,14-tetrahydrobispyrido[1,2- a: l',2'-e] diazocinediium dibromide 4 shows a clear variation, narrow lines appearing only at + 85 "C. The differences in the dynamic behaviour of these compounds has been analyzed using different semi-empirical calculations (MNIX), AMI, PM3) of the ground and transition states. For comparison purposes, two other compounds belonging to the 6,8,6 series of ring derivatives have also been calculated, 5,6,11,12- tetrahydrodibenzo[a,e]cyclooetene 1 and 5,6,12.13 -tetrahydrobispyrazolo [ 1,2 -a: 1 ',2'-e] [ 1,2,5,6] tetrazoeinediium cation 2.
- Synthesis and carbón-13 NMR spectroscopy of poly(pyrazol-1-YL) alkane ligands
1992-10-29T05:00:31Z The carbon-13 chemical shifts and tH-13C coupling constants of twelve polypodal ligands belonging to bis(pyrazol-1-yl)- and tris(pyrazol-1-yl)-methane classes are described. The chemical shifts show high internal consistency: for instance, a previously-reported additive model predicts, with great accuracy, the chemical shift of the central sp3 carbon. Coupling constants proved to be useful tools for the assignment of pyrazole carbons. The 11( 1 H-13C) coupling of the central carbon is linearly related to the basicity of the pyrazole substitutent in tris(pyrazol-1-yl)methanes.
