Synthesis, Crystal Structure, Hirshfeld Surface Analysis and Biological Activity of 1-(Bis(4-methoxyphenyl)-methyl)-4-(2-(2-methylphenoxy)ethyl)piperazine

【摘要】 In this study, a novel phenoxyethylamine derivative 1-(bis(4-methoxy phenyl)-methyl)-4-(2-(2-methylphenoxy)ethyl)piperazine(C28 H35 N2 O3, Mr = 454.58) has been synthesized and its structure was characterized by 1 H NMR, 13 C NMR, HRMS and single-crystal X-ray diffraction. The compound crystallizes in triclinic system, space group P1 with a = 6.1980(12),b = 12.212(2), c = 19.527(4) ?, α = 93.08(3)°, β = 98.62(3)°, γ = 90.72(3)°, V = 1458.9(5) ?3, Z =2, Dc = 1.035 g/cm3, F(000) = 489, μ = 0.067 mm-1, Mo Kα radiation(λ = 0.71073 ?), the final R= 0.0693 and wR = 0.1759 for 3030 observed reflections with I > 2σ(I). The bioassay results indicated that the title compound 5 displayed effective activities against glutamine-induced neurotoxicity in PC12 cells.更多还原

【Abstract】 In this study, a novel phenoxyethylamine derivative 1-(bis(4-methoxy phenyl)-methyl)-4-(2-(2-methylphenoxy)ethyl)piperazine(C28 H35 N2 O3, Mr = 454.58) has been synthesized and its structure was characterized by 1 H NMR, 13 C NMR, HRMS and single-crystal X-ray diffraction. The compound crystallizes in triclinic system, space group P1 with a = 6.1980(12),b = 12.212(2), c = 19.527(4) ?, α = 93.08(3)°, β = 98.62(3)°, γ = 90.72(3)°, V = 1458.9(5) ?3, Z =2, Dc = 1.035 g/cm3, F(000) = 489, μ = 0.067 mm-1, Mo Kα radiation(λ = 0.71073 ?), the final R= 0.0693 and wR = 0.1759 for 3030 observed reflections with I > 2σ(I). The bioassay results indicated that the title compound 5 displayed effective activities against glutamine-induced neurotoxicity in PC12 cells.更多还原