(1) H and (13) C NMR spectral assignment of N,N'-disubstituted thiourea and urea derivatives active against nitric oxide synthase

• Published in: Magnetic resonance in chemistry Vol. 54; no. 10; pp. 793 - 799
• Main Authors: Chayah, Mariem, Camacho, M Encarnación, Carrión, M Dora, Gallo, Miguel A
• Format: Journal Article
• Language: English
• Published: England 01.10.2016
• Subjects: Carbon-13 Magnetic Resonance Spectroscopy - standards; Enzyme Inhibitors - chemical synthesis; Enzyme Inhibitors - chemistry; Enzyme Inhibitors - pharmacology; Molecular Structure; Nitric Oxide Synthase - antagonists & inhibitors; Nitric Oxide Synthase - metabolism; Proton Magnetic Resonance Spectroscopy - standards; Reference Standards; Thiourea - analogs & derivatives; Thiourea - chemical synthesis; Thiourea - chemistry; Thiourea - pharmacology; Urea - analogs & derivatives; Urea - chemical synthesis; Urea - chemistry; Urea - pharmacology; N,N′-disubstituted thioureas and ureas; hydroxypropylureas; 1H/13C 2D NMR (HSQC; HMBC); NOESY; hydroxypropylthioureas; 1H and 13C 1D NMR; 1H/15N 2D NMR (HSQC; HMBC)
• ISSN: 1097-458X
• DOI: 10.1002/mrc.4455

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.