| Synthesis, Crystal Structure and Antitumor Activity of 6,7,8-Trimethoxy-1-（4-methoxy-3-nitrophenyl）-4- （pyridin-4-ylmethyl）-3,4-dihydroisoquinoline |
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| 作者姓名： | ZHU Wen-Wen SONG Yun-Long ZHENG Can-Hui LV Jia-Guo CHEN Jun HUANG Jing-Jing ZHOU You-Jun ZHU Ju |
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| 作者单位： | [1]Department of Medicinal Chemistry, School of Pharmacy, The Second Military Medical University, Shanghai 200433, China [2]Department of Pharmacy, Chengdu Military Command General Hospital Chengdu 610083, China |
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| 基金项目： | Supported by Shanghai Pujiang Talent Foundation （No. 09PJ1400300） and Shanghai Key Basic Research Program （No. 09JC1417500） |
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| 摘 要： | A novel class of 3,4-dihydroisoquinolines (7a～e) was designed, synthesized and characterized by IR, NMR and ESI-MS. The crystal structure of compound 7a (6,7,8-trime- thoxy-1-(4-methoxy-3-nitrophenyl)-4-(pyridin-4-methyl)-3,4-dihydroisoquinoline, C25H25N3O6, Mr=463.48) was determined by X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/n with a=12.074(5), b=12.896(6), c=15.450(7), β=105.846(5)°, V=2314.4(17) 3, Z=4, Dc=1.330 Mg/m3, μ(MoKα)=0.096 mm-1, F(000)=976, S=0.991, the final R=0.0467 and wR=0.1231 for 4545 unique reflections (Rint=0.0656) with 3117 observed ones. The bioassay showed that compounds 7a～e exhibit moderate antitumor activities in vitro.
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| 关 键 词： | 抗肿瘤活性 晶体结构 三甲氧基 硝基苯基 合成 吡啶 射线衍射分析 红外光谱 |
Synthesis, Crystal Structure and Antitumor Activity of 6,7,8-Trimethoxy-1-(4-methoxy-3-nitrophenyl)-4-(pyridin-4-ylmethyl)-3,4-dihydroisoquinoline |
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| ZHU Wen-Wen,SONG Yun-Long,ZHENG Can-Hui,LV Jia-Guo,CHEN Jun,HUANG Jing-Jing,ZHOU You-Jun,ZHU Ju.Synthesis, Crystal Structure and Antitumor Activity of 6,7,8-Trimethoxy-1-(4-methoxy-3-nitrophenyl)-4-(pyridin-4-ylmethyl)-3,4-dihydroisoquinoline[J].Chinese Journal of Structural Chemistry,2011,30(5):717-723. |
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| Authors: | ZHU Wen-Wen SONG Yun-Long ZHENG Can-Hui LV Jia-Guo CHEN Jun HUANG Jing-Jing ZHOU You-Juna ZHU Ju |
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| Institution: | 1. Department of Medicinal Chemistry, School of Pharmacy, The Second Military Medical University, Shanghai 200433, China
2. Department of Pharmacy, Chengdu Military Command General Hospital, Chengdu 610083, China |
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| Abstract: | T A novel class of 3,4-dihydroisoquinolines(7a～e)was designed, synthesized and characterized by IR, NMR and ESI-MS. The crystal structure of compound 7a(6,7,8-trime-thoxy-1-(4-methoxy-3-nitrophenyl)-4-(pyridin-4-methyl)-3,4-dihydroisoquinoline, C<,25>H<,25>N<,3>O<,6>, M<,r> = 463.48)was determined by X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/n with a = 12.074(5), b = 12.896(6), c = 15.450(7)(A), β = 105.846(5)°, V=2314.4(17)(A)<'3>, Z= 4, D<,c> = 1.330 Mg/m<'3>,μ(MoKa)= 0.096 mm<'-1>, F(000)= 976, S= 0.991, the final R = 0.0467 and wR = 0.1231 for 4545 unique reflections(Rint= 0.0656)with 3117 observed ones.The bioassay showed that compounds 7a～e exhibit moderate antitumor activities in vitro. |
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| Keywords: | 3 4-dihydroisoquinoline crystal structure synthesis antitumor activity |
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