Synthesis, Crystal Structure and Biological Activity of(3S,8a R)-3-((1-Allyl-1H-3-indolyl)methyl)-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione  

作　　者：YANG Yi-Hua YONG Kai-Li LU Qian MIAO Xu-Guang LIU Shou-Xin 杨毅华;雍凯丽;鹿迁;苗旭光;刘守信(College of Chemical and Pharmaceutical Engineering,Hebei University of Science&Technology,Shijiazhuang 050018,China;State Key Laboratory Breeding Base,Hebei Key Laboratory of Molecular Chemistry for Drug,Hebei University of Science&Technology,Shijiazhuang 050018,China)

机构地区：[1]College of Chemical and Pharmaceutical Engineering,Hebei University of Science&Technology,Shijiazhuang 050018,China [2]State Key Laboratory Breeding Base,Hebei Key Laboratory of Molecular Chemistry for Drug,Hebei University of Science&Technology,Shijiazhuang 050018,China

出　　处：《Chinese Journal of Structural Chemistry》2019年第12期2077-2082,共6页结构化学（英文）

基　　金：financially sponsored by the Natural Science Foundation of Hebei Province(No.B2015208134)

摘　　要：A derivative of Brevianamide F,（3 S,8 a R）-3-（（1-allyl-1 H-3-indolyl）methyl）-hexahy-dropyrrolo[1,2-a]pyrazine-1,4-dione, was synthesized and characterized by 1 H NMR, 13 C NMR and confirmed by X-ray crystal structure analysis. This compound crystallizes in orthorhombic system, space group P212121 with a = 9.59590（10）, b = 12.70430（10）, c = 14.5425（2） ?, V = 1772.86（3） ?3, Z = 4, μ（CuK α） = 0.712 mm-1, Dc = 1.279 g/cm3, 16019 reflections measured（9.24 o≤2θ≤147.28°）, 3524 unique（Rint = 0.0309, Rsigma = 0.0175） which were used in all calculations. The final R = 0.0567（I > 2σ（I）） and w R = 0.1411（all data）. The structure exhibits intermolecular hydrogen bonds typed O–H…O, leading to the formation of one-dimensional chains. The title compound was tested for inhibitory activity toward B-16, C6, RM-1 and BV-2 cancer cell lines.

关 键 词：brevianamide F crystal structure SYNTHESIS biological activity 

分 类 号：TQ460.1[化学工程—制药化工]