2-(6,11-Dioxobenzo[b]acridin-12-yl)acetaldehyde

• 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: 2-(6,11-Dioxobenzo[b]acridin-12-yl)acetaldehyde
• 化学式: C₁₉H₁₁NO₃
• 分子量: 301.301
• InChiKey: CEELACWSALXQQQ-UHFFFAOYSA-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：
  0.05
• 拓扑面积：
  64.1
• 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 在 水 、 二乙醇胺 作用下， 反应 0.5h， 生成 2-(6,11-Dioxobenzo[b]acridin-12-yl)acetaldehyde
  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.