17861-16-4Relevant articles and documents
Synthesis and SAR study of simple aryl oximes and nitrofuranyl derivatives with potent activity against Mycobacterium tuberculosis
Calixto, Stephane Lima,Carvalho, Guilherme da Silva Louren?o,Coimbra, Elaine Soares,Granato, Juliana da Trindade,Louren?o, Maria Cristina da Silva,Wardell, James,da Costa, Cristiane Fran?a,de Souza, Marcus Vinicius Nora
, p. 12 - 20 (2020/02/06)
Background: Oximes and nitrofuranyl derivatives are particularly important compounds in medicinal chemistry. Thus, many researchers have been reported to possess antibacterial, antiparasitic, insecticidal and fungicidal activities. Methods: In this work, we report the synthesis and the biological activity against Mycobacterium tuberculosis H37RV of a series of fifty aryl oximes, ArCH=N-OH, I, and eight nitrofuranyl compounds, 2-nitrofuranyl-X, II. Results: Among the oximes, I: Ar = 2-OH-4-OH, 42, and I: Ar = 5-nitrofuranyl, 46, possessed the best activity at 3.74 and 32.0 μM, respectively. Also, 46, the nitrofuran compounds, II; X = MeO, 55, and II: X = NHCH2Ph, 58, (14.6 and 12.6 μM, respectively), exhibited excellent biological activities and were non-cytotoxic. Conclusion: The compound 55 showed a selectivity index of 9.85. Further antibacterial tests were performed with compound 55 which was inactive against Enterococcus faecalis, Klebisiella pneumonae, Pseudomonas aeruginosa, Staphylococcus aureus, Salmonella typhymurium and Shigel-la flexneri. This study adds important information to the rational design of new lead anti-TB drugs. Structure-activity Relationship (SAR) is reported.
Calculation and experimental measurement of paramagnetic NMR parameters of phenolic oximate Cu(II) complexes
Dawson, Daniel M.,Ke, Zhipeng,Mack, Frederick M.,Doyle, Rachel A.,Bignami, Giulia P. M.,Smellie, Iain A.,Bühl, Michael,Ashbrook, Sharon E.
supporting information, p. 10512 - 10515 (2017/09/29)
We present a strategy for predicting the unusual 1H and 13C shifts in NMR spectra of paramagnetic bisoximato copper(ii) complexes using DFT. We demonstrate good agreement with experimental measurements, although 1H-13C correlation spectra show that a combined experimental and theoretical approach remains necessary for full assignment.
NMR spectral assignment of substituted salicylaldoximes by inverse pulse techniques with z-gradient selection: Correlation of NMR parameters with substituent constants
Kolehmainen, Erkki,Gawinecki, Ryszard,O?mia?owski, Borys,Trzebiatowska, Katarzyna
, p. 778 - 784 (2007/10/03)
1H and 13C and also 1H,13C HMQC and 1H,X HMBC (X = 13C and 15N) correlation maps with z-gradient selection of seven salicylaldoximes were recorded and assigned and their paramete