2-Propen-1-one, 1,3-di-1H-indol-3-yl- | 169057-11-8

• 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: 2-Propen-1-one, 1,3-di-1H-indol-3-yl-
• 英文别名: 1,3-bis(1H-indol-3-yl)prop-2-en-1-one
• CAS: 169057-11-8
• 化学式: C₁₉H₁₄N₂O
• 分子量: 286.333
• InChiKey: QXTGQLSOKNQOOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  48.6
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-吲哚甲醛 、 3-乙酰吲哚 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 15.0h， 以55%的产率得到2-Propen-1-one, 1,3-di-1H-indol-3-yl-
  参考文献：
  名称：

  Synthesis and biological evaluation of indolyl chalcones as antitumor agents

  摘要：

  A series of indolyl chalcones were synthesized and evaluated in vitro for their anticancer activity against three human cancer cell lines. Compounds 3b-d, 3h, 3j, 3l, 3m, 4g, and 4j showed significant cytotoxicity, particularly, indolyl chalcones 3l and 3m were identified as the most potent and selective anticancer agents with IC50 values 0.03 and 0.09 mu M, against PaCa-2 cell line, respectively. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.05.016

文献信息

• Synthesis and biological evaluation of indolyl chalcones as antitumor agents
  作者：Dalip Kumar、N. Maruthi Kumar、Kanako Akamatsu、Eriko Kusaka、Hiroshi Harada、Takeo Ito

  DOI：10.1016/j.bmcl.2010.05.016

  日期：2010.7

  A series of indolyl chalcones were synthesized and evaluated in vitro for their anticancer activity against three human cancer cell lines. Compounds 3b-d, 3h, 3j, 3l, 3m, 4g, and 4j showed significant cytotoxicity, particularly, indolyl chalcones 3l and 3m were identified as the most potent and selective anticancer agents with IC50 values 0.03 and 0.09 mu M, against PaCa-2 cell line, respectively. (c) 2010 Elsevier Ltd. All rights reserved.