| 138154-26-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• CAS: 138154-26-4
• 化学式: C₂₀H₂₆N₄O₂*2ClH
• 分子量: 427.374
• InChiKey: OZLTXHARVNZZNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.45
• 重原子数：
  27.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  83.38
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N,N-二甲基乙酰胺 、 反应 12.0h， 以70%的产率得到5-<<2-(diethylamino)ethyl>amino>-8-methoxy-1-methyl-6H-imidazo<4,5,1-de>acridin-6-one dihydrochloride
  参考文献：
  名称：

  Chromophore-modified antineoplastic imidazoacridinones. Synthesis and activity against murine leukemias

  摘要：

  The synthesis of 8-hydroxy and 8-methoxy analogues of some substituted 5-aminoimidazoacridinones (4) is described. The synthesis was carried out by a three-step sequence from the corresponding 1-chloro-4-nitro-9(10H)-acridinone precursors (1). The annulation of the imidazolo ring onto the aminoacridinone chromophore was accomplished by heating the required aminoacridinone (3) with formic acid or, in the case of 1-methyl derivatives, with N,N-dimethylacetamide. Potent cytotoxic activity against L1210 leukemia, as well as antitumor activity against P388 leukemia in mice, was demonstrated for the 8-hydroxy analogues. The corresponding 8-methoxy derivatives were not cytotoxic. However, in some cases, they showed significant in vivo antileukemic activity.

  DOI：

  10.1021/jm00080a026
• 作为产物：
  描述：

  1-<<2-(diethylamino)ethyl>amino>-7-methoxy-4-nitro-9(10H)-acridinone 在 Raney Ni 一水合肼 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.67h， 生成
  参考文献：
  名称：

  Imidazoacridinone derivative compounds and methods for their use

  摘要：

  本发明提供了公式为的IA衍生物化合物：其中变量如本文所述。

  公开号：

  US20100137351A1