67-2ND | 1227783-48-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 67-2ND
• 英文别名: 6-[(E)-(2-oxo-1H-benzo[g]indol-3-ylidene)methyl]pyridine-2-carbaldehyde
• CAS: 1227783-48-3
• 化学式: C₁₉H₁₂N₂O₂
• 分子量: 300.316
• InChiKey: QLMPDVWBCFKPPV-LICLKQGHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  吡啶-2,6-二甲醛 、 1,3-二氢-2H-苯并[g]吲哚-2-酮 在 哌啶 作用下， 以 甲醇 为溶剂， 以20%的产率得到67-2ND
  参考文献：
  名称：

  Antitumor activity and COMPARE analysis of bis-indole derivatives

  摘要：

  This paper reports the synthesis of new derivatives (formed by two indole systems separated by a central moiety) analogous of potent antitumor agents previously described. The activity of the bis-indoles bearing a pyridine core confirms the good result described in the previous paper and compound 4c was chosen for the first in vivo experiment (Hollow Fiber Assay). COMPARE analysis and structure-activity relationships were also considered. Contrary to data reported by other Authors, no correlations were found between antitumor activity and NQO1 induction. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.03.063

文献信息

• Antitumor activity and COMPARE analysis of bis-indole derivatives
  作者：Aldo Andreani、Silvia Burnelli、Massimiliano Granaiola、Alberto Leoni、Alessandra Locatelli、Rita Morigi、Mirella Rambaldi、Lucilla Varoli、Laura Landi、Cecilia Prata、Francesco Vieceli Dalla Sega、Cristiana Caliceti、Robert H. Shoemaker

  DOI：10.1016/j.bmc.2010.03.063

  日期：2010.5

  This paper reports the synthesis of new derivatives (formed by two indole systems separated by a central moiety) analogous of potent antitumor agents previously described. The activity of the bis-indoles bearing a pyridine core confirms the good result described in the previous paper and compound 4c was chosen for the first in vivo experiment (Hollow Fiber Assay). COMPARE analysis and structure-activity relationships were also considered. Contrary to data reported by other Authors, no correlations were found between antitumor activity and NQO1 induction. (c) 2010 Elsevier Ltd. All rights reserved.