ethyl 2,3-bis(1-methyl-1H-indol-3-yl)-3-oxopropanoate | 871843-19-5

• 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: ethyl 2,3-bis(1-methyl-1H-indol-3-yl)-3-oxopropanoate
• CAS: 871843-19-5
• 化学式: C₂₃H₂₂N₂O₃
• 分子量: 374.439
• InChiKey: OHKTUEXGPBXNBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  53.23
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ethyl 2,3-bis(1-methyl-1H-indol-3-yl)-3-oxopropanoate 在 1,2,2-三甲基环戊烷-1,3-二羧酸 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 26.0h， 以80%的产率得到4,5-bis(1-Methyl-1H-indol-3-yl)-1,2-dihydropyrazol-3-one
  参考文献：
  名称：

  Synthesis and biological activity of N,N-dialkylaminoalkyl-substituted bisindolyl and diphenyl pyrazolone derivatives

  摘要：

  New Compounds, structurally related to the potent protein kinase C inhibitor staurosporine, with a bisindolylpyrazolone framework and Substituted oil the pyrazolone nitrogens with N,N-dialkylarninoalkyl side chain, were synthesized and evaluated for growth-inhibitory properties in several human cell lines. Many showed inhibition of TNF-alpha production in response to the tumor promoter TPA on HL-60 cells. The apoptotic activity on HcLa cells has been examined for several of these compounds. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.09.059
• 作为产物：
  描述：

  1-甲基吲哚-3-甲酸 在 氯化亚砜 、 N,N-二甲基甲酰胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 21.0h， 生成 ethyl 2,3-bis(1-methyl-1H-indol-3-yl)-3-oxopropanoate
  参考文献：
  名称：

  Synthesis and biological activity of N,N-dialkylaminoalkyl-substituted bisindolyl and diphenyl pyrazolone derivatives

  摘要：

  New Compounds, structurally related to the potent protein kinase C inhibitor staurosporine, with a bisindolylpyrazolone framework and Substituted oil the pyrazolone nitrogens with N,N-dialkylarninoalkyl side chain, were synthesized and evaluated for growth-inhibitory properties in several human cell lines. Many showed inhibition of TNF-alpha production in response to the tumor promoter TPA on HL-60 cells. The apoptotic activity on HcLa cells has been examined for several of these compounds. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.09.059