(E)-3-(1H-Pyrrol-2-yl)-propenal | 6249-29-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (E)-3-(1H-Pyrrol-2-yl)-propenal
• 英文别名: 3-(1H-pyrrol-2-yl)prop-2-enal
• CAS: 6249-29-2
• 化学式: C₇H₇NO
• 分子量: 121.139
• InChiKey: WEKLAUVUZROOPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  32.9
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (E)-3-(1H-Pyrrol-2-yl)-propenal 、 5-(4-Chloro-2-methylphenoxy)-2-(diethoxyphosphorylmethyl)pyran-4-one 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成 5-(4-chloro-2-methylphenoxy)-2-[2-(1H-pyrrol-2-yl)ethenyl]pyran-4-one
  参考文献：
  名称：

  Discovery of a potent enoyl-acyl carrier protein reductase (FabI) inhibitor suitable for antistaphylococcal agent

  摘要：

  We report the discovery, synthesis, and biological activities of phenoxy-4-pyrone and phenoxy-4-pyridone derivatives as novel inhibitors of enoyl-acyl carrier protein reductase (FabI). Pyridone derivatives showed better activities than pyrone derivatives against FabI and Staphylococcus aureus strains, including methicillin-resistant Staphylococcus aureus (MRSA). Among the pyridone derivatives, compound 16l especially exhibited promising activities against the MRSA strain and good pharmacokinetic profiles. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.08.077

文献信息

• Discovery of a potent enoyl-acyl carrier protein reductase (FabI) inhibitor suitable for antistaphylococcal agent
  作者：Yun Gyeong Kim、Jae Hong Seo、Jin Hwan Kwak、Kye Jung Shin

  DOI：10.1016/j.bmcl.2015.08.077

  日期：2015.10

  We report the discovery, synthesis, and biological activities of phenoxy-4-pyrone and phenoxy-4-pyridone derivatives as novel inhibitors of enoyl-acyl carrier protein reductase (FabI). Pyridone derivatives showed better activities than pyrone derivatives against FabI and Staphylococcus aureus strains, including methicillin-resistant Staphylococcus aureus (MRSA). Among the pyridone derivatives, compound 16l especially exhibited promising activities against the MRSA strain and good pharmacokinetic profiles. (C) 2015 Elsevier Ltd. All rights reserved.