title: Carvedilol, a beta adrenoceptor blocker with chelating properties. A copper 'superdimer' based on dimetal units.
abstract: Copper(II) complexes of carvedilol molecule, (CARVH): 1-[carbazolyl-(4)-oxyl]-3-[(2-methoxyphenoxyethyl)-amino]-2-propanol, were synthesized and characterized with respect to their structural and spectroscopic properties. The crystal structure of [Cu(Carv)Cl(MeOH)](2).4MeOH complex revealed that the molecule chelates two Cu(II) ions via the N and O atoms belonging to the amino and propanol moiety, respectively. The coordination behaviour of carvedilol studied by 1H nuclear magnetic resonance (NMR, 1-D and 2-D-COSY) spectroscopy in dimethyl sulfoxide solution at room temperature, allowed us to obtain structural information and to identify the donor atoms involved in the coordination process in solution.
authors.affiliation: Dipartimento di Chimica, Università degli Studi di Sassari, Via Vienna 2, 07100 Sassari, Italy. zoroddu@uniss.it
authors.forename: Maria Antonietta
authors.initials: MA
authors.lastname: Zoroddu
authors.forename: Fabrizia
authors.initials: F
authors.lastname: Grepioni
authors.forename: Flavia
authors.initials: F
authors.lastname: Franconi
mesh_terms: D000319:Adrenergic beta-Antagonists / Q000737:chemistry* / Q000494:pharmacology*; D002227:Carbazoles / Q000737:chemistry* / Q000494:pharmacology*; D000077261:Carvedilol; D002614:Chelating Agents / Q000737:chemistry* / Q000494:pharmacology; D003300:Copper / Q000737:chemistry / Q000378:metabolism*; D003460:Crystallization; D019281:Dimerization; D004578:Electron Spin Resonance Spectroscopy; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure; D011412:Propanolamines / Q000737:chemistry* / Q000494:pharmacology*
chemical_list: D000319:Adrenergic beta-Antagonists; D002227:Carbazoles; D002614:Chelating Agents; D011412:Propanolamines; D000077261:Carvedilol; D003300:Copper