1-(2'-四氢噻吩基)-5-氟尿嘧啶-1'-氧化物 | 70758-92-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 1-(2'-四氢噻吩基)-5-氟尿嘧啶-1'-氧化物
• 英文名称: 1-(2'-tetrahydrothienyl)-5-fluorouracil 1'-oxide
• 英文别名: 2-(5-Fluorouracil-1-yl)tetrahydrothiophene 1-oxide；5-fluoro-1-(1-oxothiolan-2-yl)pyrimidine-2,4-dione
• CAS: 70758-92-8
• 化学式: C₈H₉FN₂O₃S
• 分子量: 232.235
• InChiKey: JIDDFPFGMDDOLO-UHFFFAOYSA-N

物化性质

• 密度：
  1.63±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  85.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Citric acid (trisodium) 、 1-(2'-四氢噻吩基)-5-氟尿嘧啶-1'-氧化物 生成 trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate
  参考文献：
  名称：

  BOTTLE CONVEYOR LUBRICANT COMPOSITION AND METHOD OF USING THE SAME

  摘要：

  一种用于聚酯瓶输送机的润滑剂组合物，其特点是包括（A）特定螯合化合物和（B）水，还可以选择性地包含（C）非离子表面活性剂，（D）水溶性溶剂，（E）阳离子表面活性剂和/或（F）阴离子表面活性剂。使用特定螯合化合物作为主要成分，可以获得适用于在不锈钢输送机上移动和传送PET容器的瓶子输送机润滑剂。此外，通过添加特定的表面活性剂，可以获得一种瓶子输送机润滑剂，可单独使用，使PET容器不仅可以在不锈钢输送机上移动和传送，还可以在树脂输送机上移动和传送。此外，该组合物具有优异的清洁、润滑、杀菌、抑制结垢和防止应力开裂的能力，并且在与饮料混合后抑制沉淀的发生具有优异的效果。还提供了使用该组合物的方法。

  公开号：

  US20100069274A1
• 作为产物：
  描述：

  1-(2'-四氢噻吩基)-5-氟尿嘧啶 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以83%的产率得到1-(2'-四氢噻吩基)-5-氟尿嘧啶-1'-氧化物
  参考文献：
  名称：

  Synthesis and antitumor activity of a series of ftorafur analogs: the effect of varying electronegativity at the 1'-position

  摘要：

  To test the effect of changes in electronegativity within the alicyclic N-1 substituent 5-fluorouracil analogues on cytotoxic activity, a series of derivatives of ftorafur, 1-(2'-tetrahydrofuranyl)-5-fluorouracil, was synthesized and tested for antitumor activity in the P388 lymphocytic leukemia screen and cytotoxic activity in the L1210 cell culture screen. Two compounds of N-1 substituent with high electronegativity, the 2'-tetrahydrothiophene 1'-oxide and the 2'-tetrahydrothiophene 1',1'-dioxide derivatives, demonstrated the highest in vitro L1210 cell inhibition (84.5% and 92.0%, respectively). Furthermore, against P388 lymphocytic leukemia in vivo, the 2'-tetrahydrothiophene 1'-oxide derivative showed significant activity (T/C = 143). Other compounds of similar or lower electronegativity within the N-1 cyclic substituent were inactive against P388 lymphocytic leukemia and less active against L1210 cells.

  DOI：

  10.1021/jm00380a016

文献信息

• Synthesis and antitumor activity of a series of ftorafur analogs: the effect of varying electronegativity at the 1'-position
  作者：Mark H. Holshouser、Annette M. Shipp、Paul W. Ferguson

  DOI：10.1021/jm00380a016

  日期：1985.2

  To test the effect of changes in electronegativity within the alicyclic N-1 substituent 5-fluorouracil analogues on cytotoxic activity, a series of derivatives of ftorafur, 1-(2'-tetrahydrofuranyl)-5-fluorouracil, was synthesized and tested for antitumor activity in the P388 lymphocytic leukemia screen and cytotoxic activity in the L1210 cell culture screen. Two compounds of N-1 substituent with high electronegativity, the 2'-tetrahydrothiophene 1'-oxide and the 2'-tetrahydrothiophene 1',1'-dioxide derivatives, demonstrated the highest in vitro L1210 cell inhibition (84.5% and 92.0%, respectively). Furthermore, against P388 lymphocytic leukemia in vivo, the 2'-tetrahydrothiophene 1'-oxide derivative showed significant activity (T/C = 143). Other compounds of similar or lower electronegativity within the N-1 cyclic substituent were inactive against P388 lymphocytic leukemia and less active against L1210 cells.
• BOTTLE CONVEYOR LUBRICANT COMPOSITION AND METHOD OF USING THE SAME
  申请人：Ebine Wataru

  公开号：US20100069274A1

  公开（公告）日：2010-03-18

  A bottle conveyor lubricant composition used for polyalkylene terephthalate containers, characterized by comprising (A) a specific chelating compound, and (B) water, and further optionally containing (C) a nonionic surfactant, (D) a water-soluble solvent, (E) a cationic surfactant, and/or (F) an anionic surfactant. Using the specific chelating compound as a main component makes it possible to obtain a bottle conveyor lubricant suitable for moving and conveying PET containers on a stainless steel conveyor. Furthermore, by adding a specific surfactant, it is possible to obtain a bottle conveyor lubricant that can be used alone to enable PET containers to be moved and conveyed not only on stainless steel conveyors but also on resin conveyors. Moreover, the composition has excellent detergency, lubricating ability, sterilizing ability, scale suppressing ability, and stress crack preventing ability, and has an excellent effect of suppressing occurrence of deposit upon being mixed with a beverage. A method of using the composition is also provided.

  一种用于聚酯瓶输送机的润滑剂组合物，其特点是包括（A）特定螯合化合物和（B）水，还可以选择性地包含（C）非离子表面活性剂，（D）水溶性溶剂，（E）阳离子表面活性剂和/或（F）阴离子表面活性剂。使用特定螯合化合物作为主要成分，可以获得适用于在不锈钢输送机上移动和传送PET容器的瓶子输送机润滑剂。此外，通过添加特定的表面活性剂，可以获得一种瓶子输送机润滑剂，可单独使用，使PET容器不仅可以在不锈钢输送机上移动和传送，还可以在树脂输送机上移动和传送。此外，该组合物具有优异的清洁、润滑、杀菌、抑制结垢和防止应力开裂的能力，并且在与饮料混合后抑制沉淀的发生具有优异的效果。还提供了使用该组合物的方法。