| Synthesis,Crystal Structure,and Antitumor Activity of 1-（4-Methoxybenzylidene）-2-（1-phenyl-6-trifluoromethyl- 1H-pyrazolo [3,4-d] pyrimidin-4-yl）hydrazine Monohydrate |
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| 作者姓名： | YANGPing ;GAOHui ;SONGXin-Jian |
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| 作者单位： | [1]Key Laboratory of Biologic Resources Protection and Utilizationof Hubei Province, Hubei Minzu University, Enshi 445000, China; [2]College of Forestry and Horticultrue, Hubei Minzu University, Enshi 445000, China |
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| 基金项目： | the National Natural Science Foundation of China，the Open Fund of Key Laboratory of Biologic Resources Protection and Utilization of Hubei Province，the Project for Cultivating Excellent Postgraduate's Dissertation of Hubei Minzu University，the First-class Discipline of Forestry in Hubei Minzu University |
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| 摘 要： | The novel title compound 1-(4-methoxybenzylidene)-2-(1-phenyl-6-trifluoromethyl-1H-pyrazolo3,4-d]pyrimidin-4-yl)hydrazine monohydrate(C20H15F3N6O·H2O, Mr = 430.40) has been synthesized by a four-step procedure including the cyclization, chlorination, hydrazinolysis and condensation reaction, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to orthorhombic, space group Pbca with a = 8.3779(13), b = 17.607(3), c = 26.774(4) , V = 3949.2(11) 3, Z = 8, Dc = 1.448 g/cm3, μ = 0.117 mm–1, F(000) = 1776, the final R = 0.0553 and wR = 0.1516 for 2354 observed reflections with I 2■(I). X-ray diffraction analysis reveals that the title compound is almost coplanar except for the trifluoromethyl and phenyl moieties. In the crystal packing, the molecules are linked by intermolecular O(1W)–H(1WA)···N(2), O(1W)–H(1WA)···N(4) and N(5)–H(5A)···O(1W) hydrogen bonds via water molecules and stacked through π-π stacking interactions. The preliminary bioassay suggested that the title compound exhibits relatively good antitumor activity against HepG2 and BCG-823.
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| 关 键 词： | 抗肿瘤活性 三氟甲基 晶体结构 甲氧基 水合物 苯基 肼解 合成 |
Synthesis,Crystal Structure,and Antitumor Activity of 1-(4-Methoxybenzylidene)-2-(1-phenyl-6-trifluoromethyl-1H-pyrazolo [3,4-d] pyrimidin-4-yl)hydrazine Monohydrate |
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| YANGPing,;GAOHui,;SONGXin-Jian.Synthesis,Crystal Structure,and Antitumor Activity of 1-(4-Methoxybenzylidene)-2-(1-phenyl-6-trifluoromethyl-1H-pyrazolo [3,4-d] pyrimidin-4-yl)hydrazine Monohydrate[J].Chinese Journal of Structural Chemistry,2014,33(8):1129-1134. |
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| Authors: | YANG Ping GAO Hui SONG Xin-Jian |
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| Institution: | 1. Key Laboratory of Biologic Resources Protection and Utilization of Hubei Province, Hubei Minzu University, Enshi 445000, China;College of Forestry and Horticultrue, Hubei Minzu University, Enshi 445000, China
2. Key Laboratory of Biologic Resources Protection and Utilization of Hubei Province, Hubei Minzu University, Enshi 445000, China |
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| Abstract: | pyrazolo pyrimidine, hydrazone, trifluoromethyl, antitumor activity |
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| Keywords: | pyrazolo[3 4-d]pyrimidine hydrazone trifluoromethyl antitumor activity |
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