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双呋喃氟脲嘧啶的晶体结构

Crystal Structure of 1,3-Bis(2’-Tetrahydrofuryl) -5-Fluorouracil

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【作者】 胡宁海江建生申成林永华郭东耀

【Author】 Hu Ninghai, Jiang Jiansheng, Shen Cheng, Lin Yonghua, and Gao Dongyao (Institute of Theor. Chem. of Jilin University, Changchun)

【机构】 长春应用化学研究所中国科学技术大学吉林大学理论化学研究所吉林大学理论化学研究所

【摘要】 1,3-双(2′-四氢呋喃)-5-氟脲嘧啶(简称FD-1)晶体属三斜晶系,α=8.911(4),b=11.744(5),c=12.320(7)A,α=99.69(4)°,β=93.49(4)°,γ=97.83(4)°。空间群为P1,Z=4。R=0.089。 对比了FD-1,FT-207和5-Fu三个同系列抗癌药物结构及其抗癌疗效。

【Abstract】 1,3-Bis(2/-tetrahydrofuryl)-5-fluorouracil, C12H15FN3O4, crystals are triclinic system, a = 8.911(4)A, 6 = 11.744(5 ) A, c = 12.320( 7 ) A, α = 99.69(4)°, β = 93.49(4)°, γ = 97.83(4)°. Space group P1, Z = 4. The diffraction data (CuKa) were collected with NICOLET Rs four-circle diffractometer. The structure was determined by SHELXTL direct methods and refined by the least-square program, R= 0.089.Comparing this structure with FT-207, we find that the structure features of their 5-fluorouracil rings are all the same as the one of 5-Fu. One more tetrahydrofuranose ring in FT-207 and two more these rings in FD-1 than 5-Fu make their structures quite different. They all are chemical anticancer drug, but FD-1 is the best one. Its curative effect is 1.7 times as much as of FT-207, and its toxicity is only 1/2 - 1/3 that of FT-207. The determination of crystal structure of FD-1 is helpful for revealing it’s anticancer mechanism.

  • 【文献出处】 高等学校化学学报 ,Chemical Research In Chinese Universities , 编辑部邮箱 ,1984年04期
  • 【被引频次】1
  • 【下载频次】30
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