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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

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
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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.
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)
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 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)
关键词 brevianamide F crystal structure SYNTHESIS biological activity brevianamide F crystal structure synthesis biological activity
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