Libraries on Oxetane [delta]-Amino Acid Scaffolds: Syntheses and Evaluation of Physicochemical and Metabolic Properties

Oxetane δ-amino acids were investigated as scaffolds to generate oxetane-based libraries. As pharmacophores, oxadiazoles and triazoles were built up on the scaffolds. Important physicochemical properties of target compounds were predicted in silico, and some physicochemical (solubility, logD, pKa va...

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Bibliographic Details
Published in:Journal of carbohydrate chemistry 2011-09, Vol.30 (7-9), p.498
Main Authors: Lucas, Susana Dias, Fischer, Holger, Alker, Andre, Rauter, Amelia P, Wessel, Hans Peter
Format: Article
Language:English
Subjects:
Amino acids
Carbohydrates
Libraries
Online Access:Get full text
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Summary:Oxetane δ-amino acids were investigated as scaffolds to generate oxetane-based libraries. As pharmacophores, oxadiazoles and triazoles were built up on the scaffolds. Important physicochemical properties of target compounds were predicted in silico, and some physicochemical (solubility, logD, pKa values, permeation through artificial membranes) and metabolic (intrinsic clearance) properties were determined experimentally. The compounds synthesized exhibited the desired ADMETox properties. From an in silico point of view, this work adds valuable information for the refinement of prediction tools.
ISSN:0732-8303
1532-2327
DOI:10.1080/07328303.2011.609627