1-Ethyl-2-oxo-1,2-dihydro-benzo[cd]indole-6-carbaldehyde | 70616-83-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 1-Ethyl-2-oxo-1,2-dihydro-benzo[cd]indole-6-carbaldehyde
• CAS: 70616-83-0
• 化学式: C₁₄H₁₁NO₂
• 分子量: 225.247
• InChiKey: MDOXRXWKJJSIOP-UHFFFAOYSA-N

物化性质

• 沸点：
  465.5±37.0 °C(Predicted)
• 密度：
  1.311±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.63
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  37.38
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-Ethyl-2-oxo-1,2-dihydro-benzo[cd]indole-6-carbaldehyde 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  The effects of novel heme oxygenase inhibitors on the growth of Pseudomonas aeruginosa

  摘要：

  Objectives: This study was aimed to develop small molecule inhibitors of the P. aeruginosa heme oxygenase (paHemO) as potential treatment of infections caused by P. aeruginosa.Methods: New compounds were designed based on the crystal structure of pa-HemO. The binding affinities (K-D) were determined using intrinsic fluorescence quenching assays. The anti-microbial effects of the new compounds was evaluated by minimal inhibitory concentration 50% (MIC50).Results: Eleven compounds were synthesized as potential pa-HemO inhibitors. New compounds demonstrated Ku values ranging from 1.5 to 180 mu M, and MIC50 values ranging from 26 to 260 mu M/mL. The compounds had good affinity with HemO and promising anti-microbial effects on P. aeruginosa.Conclusions: The new inhibitors described herein can inhibit the growth of P. aeruginosa via the inhibition of paHemO. There may be broad prospects for HemO inhibitors to treat P. aeruginosa related infections.

  DOI：

  10.1016/j.micpath.2019.01.047
• 作为产物：
  描述：

  1,8-萘内酰亚胺 在 sodium hydride 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 15.5h， 生成 1-Ethyl-2-oxo-1,2-dihydro-benzo[cd]indole-6-carbaldehyde
  参考文献：
  名称：

  The effects of novel heme oxygenase inhibitors on the growth of Pseudomonas aeruginosa

  摘要：

  Objectives: This study was aimed to develop small molecule inhibitors of the P. aeruginosa heme oxygenase (paHemO) as potential treatment of infections caused by P. aeruginosa.Methods: New compounds were designed based on the crystal structure of pa-HemO. The binding affinities (K-D) were determined using intrinsic fluorescence quenching assays. The anti-microbial effects of the new compounds was evaluated by minimal inhibitory concentration 50% (MIC50).Results: Eleven compounds were synthesized as potential pa-HemO inhibitors. New compounds demonstrated Ku values ranging from 1.5 to 180 mu M, and MIC50 values ranging from 26 to 260 mu M/mL. The compounds had good affinity with HemO and promising anti-microbial effects on P. aeruginosa.Conclusions: The new inhibitors described herein can inhibit the growth of P. aeruginosa via the inhibition of paHemO. There may be broad prospects for HemO inhibitors to treat P. aeruginosa related infections.

  DOI：

  10.1016/j.micpath.2019.01.047