5-(3-benzyloxypropyl)-3-(2,5-dihydro-2,5-dioxopyrrol-3-yl)-1H-indole | 889108-60-5

• 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
• 英文名称: 5-(3-benzyloxypropyl)-3-(2,5-dihydro-2,5-dioxopyrrol-3-yl)-1H-indole
• CAS: 889108-60-5
• 化学式: C₂₂H₂₀N₂O₃
• 分子量: 360.412
• InChiKey: LHCNWXHOWXWFKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.36
• 重原子数：
  27.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  71.19
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5-(3-benzyloxypropyl)-3-(2,5-dihydro-2,5-dioxopyrrol-3-yl)-1H-indole 、 马来酰亚胺 在 三氟乙酸 作用下， 以 对二甲苯 、 1,4-二氧六环 为溶剂， 反应 96.0h， 以77%的产率得到
  参考文献：
  名称：

  Synthesis and biological evaluation of new dipyrrolo[3,4-a:3,4-c]carbazole-1,3,4,6-tetraones, substituted with various saturated and unsaturated side chains via palladium catalyzed cross-coupling reactions

  摘要：

  The syntheses of a series of dipyrrolo[3,4-a:3,4-c]carbazole-1,3,4,6-tetraoties, substituted in 10-position with saturated and unsaturated side chains, via palladium catalyzed cross-coupling reactions, are described. These compounds call be considered as granulatimide bis-imide analogues. Their inhibitory activity toward Chk1 kinase and their antiproliferative activities in vitro in four tumor cell lines are reported. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.01.030
• 作为产物：
  描述：

  5-碘吲哚 在 palladium diacetate 、 palladium on activated charcoal 吡啶 、 氢气 、 silver(I) acetate 、 溶剂黄146 、 三苯基膦 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 1,4-二氧六环 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0~70.0 ℃ 、100.0 kPa 条件下， 反应 47.0h， 生成 5-(3-benzyloxypropyl)-3-(2,5-dihydro-2,5-dioxopyrrol-3-yl)-1H-indole
  参考文献：
  名称：

  Synthesis and biological evaluation of new dipyrrolo[3,4-a:3,4-c]carbazole-1,3,4,6-tetraones, substituted with various saturated and unsaturated side chains via palladium catalyzed cross-coupling reactions

  摘要：

  The syntheses of a series of dipyrrolo[3,4-a:3,4-c]carbazole-1,3,4,6-tetraoties, substituted in 10-position with saturated and unsaturated side chains, via palladium catalyzed cross-coupling reactions, are described. These compounds call be considered as granulatimide bis-imide analogues. Their inhibitory activity toward Chk1 kinase and their antiproliferative activities in vitro in four tumor cell lines are reported. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.01.030