title: (1) H and (13) C NMR spectral assignment of N,N'-disubstituted thiourea and urea derivatives active against nitric oxide synthase.
abstract: The (1) H and (13) C NMR resonances of seventeen N-alkyl and aryl-N'-[3-hydroxy-3-(2-nitro-5-substitutedphenyl)propyl]-thioureas and ureas (1-17), and seventeen N-alkyl or aryl-N'-[3-(2-amino-5-substitutedphenyl)-3-hydroxypropyl]-thioureas and ureas (18-34), designed as NOS inhibitors, were assigned completely using the concerted application of one- and two-dimensional experiments (DEPT, HSQC and HMBC). NOESY studies confirm the preferred conformation of these compounds. Copyright © 2016 John Wiley & Sons, Ltd.
authors.affiliation: Departamento de Química Farmacéutica y Orgánica, Facultad de Farmacia, Universidad de Granada, 18071, Granada, Spain.
authors.forename: Mariem
authors.initials: M
authors.lastname: Chayah
authors.affiliation: Departamento de Química Farmacéutica y Orgánica, Facultad de Farmacia, Universidad de Granada, 18071, Granada, Spain.
authors.forename: M Encarnación
authors.initials: ME
authors.lastname: Camacho
authors.affiliation: Departamento de Química Farmacéutica y Orgánica, Facultad de Farmacia, Universidad de Granada, 18071, Granada, Spain.
authors.forename: M Dora
authors.initials: MD
authors.lastname: Carrión
authors.affiliation: Departamento de Química Farmacéutica y Orgánica, Facultad de Farmacia, Universidad de Granada, 18071, Granada, Spain.
authors.forename: Miguel A
authors.initials: MA
authors.lastname: Gallo
mesh_terms: D066241:Carbon-13 Magnetic Resonance Spectroscopy / Q000592:standards; D004791:Enzyme Inhibitors / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D015394:Molecular Structure; D019001:Nitric Oxide Synthase / Q000037:antagonists & inhibitors* / Q000378:metabolism; D066244:Proton Magnetic Resonance Spectroscopy / Q000592:standards; D012015:Reference Standards; D013890:Thiourea / Q000031:analogs & derivatives* / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D014508:Urea / Q000031:analogs & derivatives* / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology
chemical_list: D004791:Enzyme Inhibitors; D014508:Urea; D019001:Nitric Oxide Synthase; D013890:Thiourea
keywords: 1H and 13C 1D NMR; 1H/13C 2D NMR (HSQC; HMBC); 1H/15N 2D NMR (HSQC; HMBC); N,N′-disubstituted thioureas and ureas; NOESY; hydroxypropylthioureas; hydroxypropylureas