A study of the conformational properties, both referred to the heterocyclic ring and to the ammonium sustituent, has been carried out on dimethylaminomethylmethiodide derivatives of 2-methyl substituted 5- membered satyrated hetrocycles having cholinergic activity. The experimental employed is NMR of the proton: the spectra were fully analyzed and all the multiplet parameters tentatively assigned. Vicinal coupling constants were employed for the conformational study by introducing them in a best fit procedure between experimental and calculated (by a semi-empirical method) values. The molecular conformation thus obtained were compared with results previously obtained for a few of the compounds here examined or for similar systems and employed for discussing the possible factors relating molecular geometry to their biological activity.

Conformational Analysis of 5-Membered Ring Compounds having Cholinergic Activity / Benassi, Rois; Schenetti, Luisa; Taddei, Ferdinando; L., Villa; V., Ferri. - In: TETRAHEDRON. - ISSN 0040-4020. - STAMPA. - 39:(1983), pp. 3171-3180.

Conformational Analysis of 5-Membered Ring Compounds having Cholinergic Activity

BENASSI, Rois;SCHENETTI, Luisa;TADDEI, Ferdinando;
1983

Abstract

A study of the conformational properties, both referred to the heterocyclic ring and to the ammonium sustituent, has been carried out on dimethylaminomethylmethiodide derivatives of 2-methyl substituted 5- membered satyrated hetrocycles having cholinergic activity. The experimental employed is NMR of the proton: the spectra were fully analyzed and all the multiplet parameters tentatively assigned. Vicinal coupling constants were employed for the conformational study by introducing them in a best fit procedure between experimental and calculated (by a semi-empirical method) values. The molecular conformation thus obtained were compared with results previously obtained for a few of the compounds here examined or for similar systems and employed for discussing the possible factors relating molecular geometry to their biological activity.
1983
39
3171
3180
Conformational Analysis of 5-Membered Ring Compounds having Cholinergic Activity / Benassi, Rois; Schenetti, Luisa; Taddei, Ferdinando; L., Villa; V., Ferri. - In: TETRAHEDRON. - ISSN 0040-4020. - STAMPA. - 39:(1983), pp. 3171-3180.
Benassi, Rois; Schenetti, Luisa; Taddei, Ferdinando; L., Villa; V., Ferri
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/744573
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