The stable conformers of trans–2–methoxycinnamic acid (trans–2MCA) are determined by potential energy profile analysis. The energies of the s–cis and s–trans conformers of trans–2MCA determined by B3LYP/cc–pVTZ method are −612.9788331 Hartrees and −612.9780953 Hartrees, respectively. The ...

Synthesis of a series of 1-(6-chloro-1,1-dioxo-1,4,2-benzodithiazin-3-yl)semicarbazides (6–16) and 4-chloro-2-mercapto-N-(4,5-dihydro-5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)benzenesulfonamides (17–22) were reported. Compounds 7–9, 17, 19–22 were tested at the US National Cancer Institute for t...

A conformational study of some 4′-substituited 2-(phenylselanyl)-2-(methoxy)-acetophenones (OMe 1, H 2, and Cl 3) was performed using IR carbonyl stretching band analysis supported by NBO and PCM calculations at the B3LYP/6-31 + G (d,p) level for 1–3 and using X-ray diffraction for 1 and 2. Th...

A DMAP (4-dimethylaminopyridine) catalyzed cyclization of methyl 2-alkynylbenzimidates has been developed, which affords 3-methoxy-1-methyleneisoindoles with excellent Z-stereoselectivity under mild and transition-metal-free conditions. The (Z)-3-methoxy-1-methyleneisoindole products can be conv...

The conformational analysis of some 2‑(methoxy)‑2‑[(4‑substituted)‑phenylsulfanyl]‑(4′‑substituted) acetophenones was performed through infrared (IR) spectroscopic analysis of the carbonyl stretching band (νCO), supported by B3LYP/6-31+G(d,p) calculations and X-ray diffraction. Five (1–5) of ...

A series of 1-aryl-3-(cyclicamino)-prop-2-en-1-one analogs was synthesized from commercial acetophenones in 2 or 3 steps. Compound 6, (E)-3-(piperidinyl)-1-(2′-hydroxyphenyl)-prop-2-en-1-one, exhibited the unique shape and intensity of the Csp2NCH2 peaks in the 1H and 13C NMR spectra. Variable ...

A series of novel hybrids has been designed, synthesized and evaluated for cognition enhancing activities through the inhibition of acetylcholinesterase (AChE) and by passive avoidance mouse model. All the compounds showed excellent AChE inhibition activities and potentially reversed the scopola...

A new Mannich base series of piperazine linked berberine analogues was furnished in this study to screen the antioxidant and anticancer potential of the resultant analogues. Alkoxy group at a C-9 position of berberine was converted to hydroxyl functionality to enhance the ability of final scaffo...

Several lines of evidence suggest that selective sigma-2 (σ2) ligands might be useful for the treatment of solid tumors. However, very few selective σ2 ligands have been identified. This study was aimed at identifying new selective σ2 receptor ligands using a previously identified agent, SYA ...

New mono Mannich bases, (2-(4-hydroxy-3-((4-substituephenylpiperazin-1-yl)methyl)benzylidene)-2,3-dihydro-1H-inden-1-one), were prepared to evaluate their cytotoxic/anticancer properties and also their inhibitory effects on human carbonic anhydrase I and II isoenzymes (hCA I and II). Amine part ...

A series of new estrone derivatives were designed and synthesized, and their structures were confirmed by spectroscopic methods. All new estrone derivatives were investigated for their in vitro cytotoxic efficacies against a panel of three human prostate cancer cell lines (PC-3, LNCaP, and DU145...

Piperazine Sulfonamide analogs (1–19) have been synthesized, characterized by different spectroscopic techniques and evaluated for α-amylase Inhibition. Analogs 1–19 exhibited a varying degree of α-amylase inhibitory activity with IC50 values ranging in between 1.571 ± 0.05 to 3.98 ± 0.397...

Various intraperitoneal doses of 5-fluoro-alpha-methyltryptamine (5-FMT), given to mice, dose-dependently inhibited only MAOA activity, with similar degrees of inhibition in the striatum, hypothalamus and the rest of the forebrain. The activity inhibited in these regions, completely recovered to...

We devised a sensitive and simple method to determine alpha-methyltryptamine (AMT) and 5-methoxy-N,N-diisopropyltryptamine (5MeO-DIPT) in whole blood and urine, using gas chromatography–mass spectrometry (GC–MS). AMT and 5MeO-DIPT were extracted using an Extrelut® column with an internal stand...

The metabolism of metronidazole has been studied in man and dog, and was similar in both species. The urine contained unchanged metronidazole (I), the corresponding acid, 2-methyl-5-nitroimidazole-1-ylacetic acid (II), and a second metabolite which has been tentatively identified as the ether gl...

The PARP-2 selective inhibitor is important for clarifying specific roles of PARP-2 in the pathophysiological process and developing desired drugs with reduced off-target side effects. In this work, a series of novel quinazoline-2,4(1H,3H)-dione derivatives was designed and synthesized to explor...

The metabolism of a number of primary and secondary hydroxylamines by hepatic microsomes is described. A cyanide-insensitive, reduced pyridine nucleotide-dependent hydroxylamine reductase activity that is independent of oxygen concentration catalyzes the reduction of hydroxylamine and a number o...

4-Acetoxyaminoquinoline (Ac-4-HAQ) (1) was identified as a hydrolysis product of 1-acetoxy-4-acetoxyimino-1,4-dihydroquinoline (diAc-4-HAQO). The reaction allowing the obtention of (1) obeys to a reduction mechanism implying the N1-O cleavage. The carcinogenic properties of (1) observed by Sato ...

The title compound, a new monoester of the carcinogenic metabolite 4-hydroxyamino-quinoline 1-oxide, has been prepared as its crystalline hydrochloride and its decomposition in acidic and basic media examined.

A single intravenous injection of 4-hydroxyaminoquinoline 1-oxide (HAQO) in a dose of 9 mg/kg induced exocrine adenomas of the pancreas in a significantly higher rate in male rats than in female rats. Castration following HAQO administration diminished the incidence of the pancreatic tumors in m...