1-[2-(carbazoylmethylthio)ethyl]-3,5-dimethylisocyanurate | 1315515-03-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 1-[2-(carbazoylmethylthio)ethyl]-3,5-dimethylisocyanurate
• CAS: 1315515-03-7
• 化学式: C₉H₁₅N₅O₄S
• 分子量: 289.315
• InChiKey: PVWXTCGTBYDPND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.03
• 重原子数：
  19.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  121.12
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  1-[2-(carbazoylmethylthio)ethyl]-3,5-dimethylisocyanurate 在 硫酸锰水合物 、 双氧水 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以75%的产率得到1-[2-(carbazoylmethylsulfinyl)ethyl]-3,5-dimethylisocyanurate
  参考文献：
  名称：

  Synthesis and antimycobacterial activity of novel 1,3-dimethylisocyanurate derivatives

  摘要：

  A series of novel 1,3-dimethylisocyanurates has been synthesized as potential inhibitors of beta-ketoacyl synthase in mycobacteria. Most of the 25 compounds described and tested for their activity against M. tuberculosis have a bacteriostatic effect, comparable and even higher that of first-line antituberculosis drugs. These compounds are nontoxic, species-specific, exhibiting no activity against other bacterial species. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.04.014
• 作为产物：
  描述：

  在 一水合肼 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以97%的产率得到1-[2-(carbazoylmethylthio)ethyl]-3,5-dimethylisocyanurate
  参考文献：
  名称：

  Synthesis and antimycobacterial activity of novel 1,3-dimethylisocyanurate derivatives

  摘要：

  A series of novel 1,3-dimethylisocyanurates has been synthesized as potential inhibitors of beta-ketoacyl synthase in mycobacteria. Most of the 25 compounds described and tested for their activity against M. tuberculosis have a bacteriostatic effect, comparable and even higher that of first-line antituberculosis drugs. These compounds are nontoxic, species-specific, exhibiting no activity against other bacterial species. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.04.014