Six novel chloro-containing 1-aryl-3-oxypyrazoles TMa-TMf with an oximino ester or an oximino amide moiety were prepared by the reaction of 1-aryl-1H-pyrazol-3-ols with benzyl bromide. Their structures were characterized by 1H-NMR, 13C-NMR, IR, MS, and elemental analysis. A preliminary in vitro bioassay indicated that compounds TMa, TMe and TMf displayed excellent fungicidal activity against Rh...

A new coumarin, edgeworic acid (1), was isolated from the flower buds of Edgeworthia chrysantha, together with the five known coumarins umbelliferone (2), 5,7-dimethoxycoumarin (3), daphnoretin (4), edgeworoside C (5), and edgeworoside A (6). Their structures were established on the basis of spectral data, particularly by the use of 1D NMR and several 2D shift-correlated NMR pulse sequences (1H...

The metabolism of 3-([3-(2-Chlorophenyl)-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-1-yl]methyl)benzonitrile (AR-C133611XX) was studied in isolated dog hepatocytes. The major metabolite of AR-C133611XX was characterized by high performance liquid chromatography-mass spectrometry and NMR and found to be the product of direct glucuronidation. Evidence from 1H and 13C-NMR chemical shifts and a long-ran...

Experimental parameters that influence the resolution of 1H-NMR phenol OH signals are critically evaluated with emphasis on the effects of pH, temperature and nature of the solvents. Extremely sharp peaks (Δν1/2≤2 Hz) can be obtained under optimized experimental conditions which allow the application of 1H-13C HMBC-NMR experiments to reveal long range coupling constants of hydroxyl protons and,...

A series of methyl 6-Chloro-2-Substitued-1-[2-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]1H-benzoimidazol-5-ylamine were successfully synthesized. Benzimidazoles were prepared by condensation of 4-chloro-o-phenylenediamine with substituted aryl, aldehyde condensation with biphenyl tetrazole group and reduction stannous chloride dihydrate. An insertion-cyclization strategy was involved during synthe...

the potential of tobacco waste as a viable source of medicinally important flavonoids like rutin has been investigated. three flavonoids, apigenin, quercetin and rutin, have been isolated from waste tobacco leaves, and their identities have been confirmed by uv-visible, 1h-nmr and 13c-nmr spectroscopy. by using analytical hplc, the amount of rutin present in the tobacco leaves, before and after...

tetrahydrobenzo[b]pyran derivatives 1 were utilized for the synthesis of several new pyrano[2,3-d]pyrimidine derivatives 2. compound 2 was obtained in the presence of ac2o/h2so4 (as a catalyst) and was confirmed by spectroscopic data such as ir, 1h nmr and 13c nmr. ab initio calculation was carried out to study geometric optimization, thermodynamic parameters, aromaticity and dynamic process of...

The 1H and 13C NMR resonances for a novel distamycin conjugate, 3-[1-methyl-4-[1-methyl-4-[1-methyl-4-[N1 -[5methyl-2,4(1H,3H)pyrimidinedione]acetylamino]pyrrole-2-carboxamido]pyrrole-2-carboxamido]pyrrole-2carboxamido]propionamidine hydrochloride (1), were assigned, using the concerted application of oneand two-dimensional NMR techniques including nuclear Overhauser effect difference, DEPT, HM...

Termination of DNA replication in Bacillus subtilis involves the polar arrest of replication forks by a specific complex formed between the dimeric 29 kDa replication terminator protein (RTP) and DNA terminator sites. We have used NMR spectroscopy to probe the changes in 1H-15N correlation spectra of a 15N-labelled RTP.C110S mutant upon the addition of a 21 base pair symmetrical DNA binding sit...