1417658-40-2

Basic information

• Product Name: C₂₆H₂₀BrN₃O₃S
• Synonyms: C₂₆H₂₀BrN₃O₃S
• CAS NO: 1417658-40-2
• Molecular Weight: 534.433
• Mol File: 1417658-40-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₂₆H₂₀BrN₃O₃S(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₆H₂₀BrN₃O₃S(1417658-40-2)
• EPA Substance Registry System: C₂₆H₂₀BrN₃O₃S(1417658-40-2)

Safety Data

• Hazardous Substances Data: 1417658-40-2(Hazardous Substances Data)

Upstream product

• 1417658-61-7 5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide 
• 1417658-56-0 5-(benzo[d][1,3]dioxol-5-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide 
• 2632-13-5 2-Bromo-4'-methoxyacetophenone 
• 64376-20-1 3-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-1-(4-methoxy-phenyl)-propenone 
• 36716-01-5 3-(3',4'-methylenedoxyphenyl)-1-(4'-bromophenyl)-2-propen-1-one 
• 29668-44-8 2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde 
• 120-57-0 piperonal 
• 139-85-5 3,4-dihydroxybenzaldehyde 
• 99-90-1 para-bromoacetophenone 

Relevant articles and documents

Synthesis, molecular docking and evaluation of thiazolyl-pyrazoline derivatives containing benzodioxole as potential anticancer agents

A series of novel thiazolyl-pyrazoline derivatives containing benzodioxole (C1-C20) have been designed and synthesized. Among of the synthesized compounds, 2-(5-(benzo[d][1,3]dioxol-5-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl)- 4-(4-bromophenyl)thiazole (C6) displayed the most potent inhibitory activity for HER-2 (IC50 = 0.18 μM for HER-2). Antiproliferative assay results indicated that compound C6 owned high antiproliferative activity against MCF-7 and B16-F10 in vitro, with IC50 value of 0.09 and 0.12 μM, respectively, being comparable with the positive control Erlotinib. Docking simulation was further performed to determine the probable binding model. Based on the preliminary results, compound C6 with potent inhibitory activity in tumor growth would be a potential anticancer agent.