| 1462911-60-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1462911-60-9
• 化学式: C₂₂H₂₆N₂O₄S₃
• 分子量: 478.657
• InChiKey: KAKOZDHWBVRTJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.0
• 重原子数：
  31.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  83.55
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (Z)-S-[3-(prop-1-ylthio)propen-1-yl] ethanethioate 、 在 potassium hydroxide 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  New Excursions Into the Synthesis and Medicinal Chemistry of the Disulfide Bond

  摘要：

  The presentation discusses two themes of current interest in my research group in conjunction with a garlic mimics program. The first involves a new one-pot methodology for preparing unsymmetrical disulfides in high yield using 1-chlorobenzotriazole (BtCl) as oxidant, which can be applied to a range of functional types. The second part of the lecture will discuss the synthesis of derivatives of the garlic-derived natural product ajoene, in conjunction with an anti-cancer screening program. The synthesis has been used to prepare a fluorescently tagged derivative of the natural product that has been used to investigate localization and mode of action within the cancer cell using confocal laser scanning microscopy.

  DOI：

  10.1080/10426507.2012.736107
• 作为产物：
  描述：

  5-dimethylamino-naphthalene-1-sulfonic acid (3-hydroxy-propyl)-amide 在 三乙胺 、 sodium iodide 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 38.0h， 生成
  参考文献：
  名称：

  New Excursions Into the Synthesis and Medicinal Chemistry of the Disulfide Bond

  摘要：

  The presentation discusses two themes of current interest in my research group in conjunction with a garlic mimics program. The first involves a new one-pot methodology for preparing unsymmetrical disulfides in high yield using 1-chlorobenzotriazole (BtCl) as oxidant, which can be applied to a range of functional types. The second part of the lecture will discuss the synthesis of derivatives of the garlic-derived natural product ajoene, in conjunction with an anti-cancer screening program. The synthesis has been used to prepare a fluorescently tagged derivative of the natural product that has been used to investigate localization and mode of action within the cancer cell using confocal laser scanning microscopy.

  DOI：

  10.1080/10426507.2012.736107