1403750-40-2

Upstream product

• 90557-92-9 2,3-dihydro-1,4-benzodioxane-2-carbohydrazide 
• 94-41-7 benzalacetophenone 
• 4739-94-0 ethyl 2,3-dihydro-1,4-benzodioxin-2-carboxylate 
• 614-47-1 1,3-diphenyl-propen-3-one 
• 16619-60-6 3,5-diphenyl-4,5-dihydro-1H-pyrazole 
• 3663-80-7 1,4-benzodioxane-2-carboxylic acid 

Relevant academic research and scientific papers

Containing 1,4-benzodioxane structure of the pyrazoline derivatives and the preparation and use thereof

The invention relates to pyrazoline derivatives comprising a 1,4-benzodioxan structure. The derivatives are characterized in that the derivatives have a general formula as the following. R1, R3, and R3 in the formula are as the following. The pyrazoline d

Design, modification and 3D QSAR studies of novel 2,3-dihydrobenzo[b][1,4] dioxin-containing 4,5-dihydro-1H-pyrazole derivatives as inhibitors of B-Raf kinase

Two series of novel 2,3-dihydrobenzo[b][1,4]dioxin-containing 4,5-dihydro-1H-pyrazole derivatives C1-C15 and D1-D15 have been synthesized and evaluated for their B-Raf inhibitory and anti-proliferation activities. Compound C14 ((3-(4-bromophenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)(2,3- dihydrobenzo[b][1,4]dioxin-6-yl)methanone) showed the most potent biological activity against B-RafV600E (IC50 = 0.11 μM) and WM266.4 human melanoma cell line (GI50 = 0.58 μM), being comparable with the positive control Erlotinib and more potent than our previous best compound, while D10 ((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)(5-(3- fluorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone) performed the best in the D series (IC50 = 1.70 μM; GI50 = 1.45 μM). The docking simulation was performed to analyze the probable binding models and poses and the QSAR model was built for reasonable design of B-Raf inhibitors in future. The introduction of 2,3-dihydrobenzo[b][1,4]dioxin structure reinforced the combination of our compounds and the receptor, resulting in progress of bioactivity.