(Z)-[4-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]piperazin-1-yl]-(2,4-dinitrophenoxy)imino-oxidoazanium | 1012338-90-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (Z)-[4-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]piperazin-1-yl]-(2,4-dinitrophenoxy)imino-oxidoazanium
• CAS: 1012338-90-7
• 化学式: C₂₉H₂₆ClN₇O₉
• 分子量: 652.02
• InChiKey: HWCLDNITYZJGAK-OXKNFPIISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  46
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  197
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  (Z)-(2,4-dinitrophenoxy)imino-oxido-piperazin-4-ium-1-ylazanium;chloride 、 alkaline earth salt of/the/ methylsulfuric acid 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (Z)-[4-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]piperazin-1-yl]-(2,4-dinitrophenoxy)imino-oxidoazanium
  参考文献：
  名称：

  Synthesis and in vitro anti-leukemic activity of structural analogues of JS-K, an anti-cancer lead compound

  摘要：

  Structural analogues of JS-K, an anti-cancer lead compound, were prepared and their in vitro anti-leukemic activity was determined. The rate of nitric oxide release from the corresponding diazeniumdiolate anions did not appear to affect the anti-leukemic activity of the prodrug forms. Two compounds with potent inhibitory activity and a potentially favorable toxicological profile were identified. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.044