6-Bromo-8-chloro-2-oxo-2H-chromene-3-carboxylic acid | 1243538-50-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 6-Bromo-8-chloro-2-oxo-2H-chromene-3-carboxylic acid
• 英文别名: 6-bromo-8-chloro-2-oxochromene-3-carboxylic acid
• CAS: 1243538-50-2
• 化学式: C₁₀H₄BrClO₄
• 分子量: 303.496
• InChiKey: AXTUJDFNPOYIAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-Bromo-8-chloro-2-oxo-2H-chromene-3-carboxylic acid 在 氯化亚砜 作用下， 反应 2.0h， 生成
  参考文献：
  名称：

  Synthesis, selective anti-Helicobacter pylori activity, and cytotoxicity of novel N-substituted-2-oxo-2H-1-benzopyran-3-carboxamides

  摘要：

  N-substituted-3-carboxamido-coumarin derivatives were prepared and evaluated for selective antibacterial activity against 20 isolates of Helicobacter pylori clinical strains, including five metronidazole resistant ones. Some of them possessed the best activity against H. pylori metronidazole resistant strains with MIC values lower than the drug reference (metronidazole). Furthermore, anti-inflammatory activity through the inhibition of the IL-8 production was investigated. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.048
• 作为产物：
  描述：

  在 盐酸 、 水 、 sodium hydroxide 作用下， 生成 6-Bromo-8-chloro-2-oxo-2H-chromene-3-carboxylic acid
  参考文献：
  名称：

  Synthesis, selective anti-Helicobacter pylori activity, and cytotoxicity of novel N-substituted-2-oxo-2H-1-benzopyran-3-carboxamides

  摘要：

  N-substituted-3-carboxamido-coumarin derivatives were prepared and evaluated for selective antibacterial activity against 20 isolates of Helicobacter pylori clinical strains, including five metronidazole resistant ones. Some of them possessed the best activity against H. pylori metronidazole resistant strains with MIC values lower than the drug reference (metronidazole). Furthermore, anti-inflammatory activity through the inhibition of the IL-8 production was investigated. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.048