9-oxo-1H-phenalene-1-carbonitrile | 1239577-57-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 非那烯类
• 英文名称: 9-oxo-1H-phenalene-1-carbonitrile
• 英文别名: 9-Oxophenalene-1-carbonitrile
• CAS: 1239577-57-1
• 化学式: C₁₄H₇NO
• 分子量: 205.216
• InChiKey: FIXOLFJVCQWTRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  sodium cyanide 、 萘嵌苯酮 在 氯化铵 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以19%的产率得到9-oxo-1H-phenalene-1-carbonitrile
  参考文献：
  名称：

  Synthesis and in vitro antiprotozoal evaluation of substituted phenalenone analogues

  摘要：

  A set of derivatives encompassing structural modifications on the privileged phenalenone scaffold were assessed for their antiparasitic activities against the most clinically relevant forms of trypanosomiasis and leishmaniasis. Several compounds exhibited leishmanicidal effects at levels comparable or better than the reference drug pentamidine, while the parent phenalenone was shown to have a level of activity against Trypanosoma cruzi comparable to the marketed drug benznidazole. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.04.062

文献信息

• Synthesis and in vitro antiprotozoal evaluation of substituted phenalenone analogues
  作者：Laura I. Rosquete、M. Gabriela Cabrera-Serra、José E. Piñero、Patricia Martín-Rodríguez、Leandro Fernández-Pérez、Javier G. Luis、Grant McNaughton-Smith、Teresa Abad-Grillo

  DOI：10.1016/j.bmc.2010.04.062

  日期：2010.6.15

  A set of derivatives encompassing structural modifications on the privileged phenalenone scaffold were assessed for their antiparasitic activities against the most clinically relevant forms of trypanosomiasis and leishmaniasis. Several compounds exhibited leishmanicidal effects at levels comparable or better than the reference drug pentamidine, while the parent phenalenone was shown to have a level of activity against Trypanosoma cruzi comparable to the marketed drug benznidazole. (C) 2010 Elsevier Ltd. All rights reserved.