NMR Spectroscopic Characterization and Inclusion Mode of a Cyclodextrin-based Glyco-cluster with Antiphlogistic Ibuprofen Sodium Salt

Inclusion complex of the per-D-mannose-grafted-β-cyclodextrin (Man-CD), which synthesized by azide-alkyne “click reaction”, with Ibuprofen sodium salt (IBUNa) was investigated by NMR spectroscopy. NMR titration showed its 1:1 stoichiometry and 3.3-fold higher binding constant than parent β-cyclodextrin (β-CD). Furthermore, the possible orientations of the guest molecules were deduced by 2D NOESY and ROESY experiments.