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

作者:仲琰; 朱义杰; 高雅蓉; 许逸; 李萍; 吴斌 School; of; Chemistry; and; Chemical; Engineering; Southeast; University; Nanjing; 211189; China; School; of; Pharmacy; Nanjing; Medical; University; Nanjing; 211166; China; School; of; Basic; Medical; Sciences; Nanjing; Medical; University; Nanjing; 210029; China

摘要:In this study, a novel phenoxyethylamine derivative 1-(bis(4-methoxy phenyl)-methyl)-4-(2-(2-methylphenoxy)ethyl)piperazine(C28 H35 N2O3, 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)A,α= 93.08(3)°,β= 98.62(3)°,γ= 90.72(3)°, V = 1458.9(5)?3, Z =2, Dc = 1.035 g/cm^3, 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.

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