| 1022903-63-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• CAS: 1022903-63-4
• 化学式: C₃₀H₃₇N₆S*I
• 分子量: 640.634
• InChiKey: IQGKDAHYNRTWJW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.53
• 重原子数：
  38.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  37.88
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  3-(dimethylamino)phenothiazin-5-ium triiodide 、 1,1'-[1,4-phenylenebis(methylene)]bispiperazine 以 甲醇 为溶剂， 反应 72.0h， 以34%的产率得到
  参考文献：
  名称：

  Syntheses and DNA photocleavage by mono- and bis-phenothiazinium–piperazinexylene intercalators

  摘要：

  Chromophore systems consisting of one (compound 5) or two (compound 6) phenothiazine rings covalently attached to a bis-piperazinexylene chain were synthesized and evaluated as DNA photocleaving agents. In the presence of DNA, the compounds were shown to monointercalate in their deaggregated forms and to strongly absorb red wavelengths of light. Reactions containing micromolar concentrations of compound produced robust photocleavage of plasmid DNA under near-physiological conditions of temperature and pH (22 degrees C and pH 7.0). Phenothiazines 5 and 6 increased the T-m of calf thymus DNA by 17 and 19 degrees C, indicating that significant levels of duplex stabilization were produced. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.105