12-(2-Dimethylaminoethyl)benzo[b]acridine-6,11-dione

• 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: 12-(2-Dimethylaminoethyl)benzo[b]acridine-6,11-dione
• 英文别名: 12-[2-(dimethylamino)ethyl]benzo[b]acridine-6,11-dione
• 化学式: C₂₁H₁₈N₂O₂
• 分子量: 330.386
• InChiKey: XJZGMWIAURUPFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  50.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  11-methylbenzo[b]acridine-5,12-dione 、 alkaline earth salt of/the/ methylsulfuric acid 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.42h， 以98%的产率得到12-(2-Dimethylaminoethyl)benzo[b]acridine-6,11-dione
  参考文献：
  名称：

  Identification of heteroarylenamines as a new class of antituberculosis lead molecules

  摘要：

  Enamine-containing analogues of heteroarylquinones were prepared based on initial screening data observed against Mycobacterium tuberculosis H(37)Rv (Mtb). Several analogues showed moderate to good inhibitory activity, with one analogue (7) also demonstrating acceptable toxic selectivity (MIC 0.39 mu g/mL, SI 15). Activity towards a range of single-drug-resistant strains of Mtb was suggestive of a novel mechanism of action for 7. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.010

文献信息

• Identification of heteroarylenamines as a new class of antituberculosis lead molecules
  作者：Brent R. Copp、Holly C. Christiansen、Brent S. Lindsay、Scott G. Franzblau

  DOI：10.1016/j.bmcl.2005.06.010

  日期：2005.9

  Enamine-containing analogues of heteroarylquinones were prepared based on initial screening data observed against Mycobacterium tuberculosis H(37)Rv (Mtb). Several analogues showed moderate to good inhibitory activity, with one analogue (7) also demonstrating acceptable toxic selectivity (MIC 0.39 mu g/mL, SI 15). Activity towards a range of single-drug-resistant strains of Mtb was suggestive of a novel mechanism of action for 7. (c) 2005 Elsevier Ltd. All rights reserved.