7-[(4-Hydroxy-6-methyl-2-oxopyran-3-carbonyl)amino]heptanoic acid | 1418119-14-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 7-[(4-Hydroxy-6-methyl-2-oxopyran-3-carbonyl)amino]heptanoic acid
• 英文别名: 7-[(4-hydroxy-6-methyl-2-oxopyran-3-carbonyl)amino]heptanoic acid
• CAS: 1418119-14-8
• 化学式: C₁₄H₁₉NO₆
• 分子量: 297.308
• InChiKey: VRNDSLZVXPNKGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-[(4-Hydroxy-6-methyl-2-oxopyran-3-carbonyl)amino]heptanoic acid 在 草酰氯 、 三乙胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 1.5h， 生成 4-hydroxy-6-methyl-2-oxo-N-[7-oxo-7-[(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]heptyl]pyran-3-carboxamide
  参考文献：
  名称：

  Novel Hybrid-Type Antimicrobial Agents Targeting the Switch Region of Bacterial RNA Polymerase

  摘要：

  The bacterial RNA polymerase (RNAP) is an ideal target for the development of antimicrobial agents against drug-resistant bacteria. Especially, the switch region within RNAP has been considered as an attractive binding site for drug discovery. Here, we designed and synthesized a series of novel hybrid-type inhibitors of bacterial RNAP. The antimicrobial activities were evaluated using a paper disk diffusion assay, and selected derivatives were tested to determine their MIC values. The hybrid-type antimicrobial agent 29 showed inhibitory activity against Escherichia coli RNAP. The molecular docking study suggested that the RNAP switch region would be the binding site of 29.

  DOI：

  10.1021/ml300350p
• 作为产物：
  描述：

  3-carboxy-4-hydroxy-6-methyl-2-pyrone 在 草酰氯 、 三乙胺 、 barium(II) hydroxide 作用下， 以 四氢呋喃 、 水 、 甲苯 为溶剂， 反应 3.5h， 生成 7-[(4-Hydroxy-6-methyl-2-oxopyran-3-carbonyl)amino]heptanoic acid
  参考文献：
  名称：

  Novel Hybrid-Type Antimicrobial Agents Targeting the Switch Region of Bacterial RNA Polymerase

  摘要：

  The bacterial RNA polymerase (RNAP) is an ideal target for the development of antimicrobial agents against drug-resistant bacteria. Especially, the switch region within RNAP has been considered as an attractive binding site for drug discovery. Here, we designed and synthesized a series of novel hybrid-type inhibitors of bacterial RNAP. The antimicrobial activities were evaluated using a paper disk diffusion assay, and selected derivatives were tested to determine their MIC values. The hybrid-type antimicrobial agent 29 showed inhibitory activity against Escherichia coli RNAP. The molecular docking study suggested that the RNAP switch region would be the binding site of 29.

  DOI：

  10.1021/ml300350p

文献信息

• Novel Hybrid-Type Antimicrobial Agents Targeting the Switch Region of Bacterial RNA Polymerase
  作者：Fumika Yakushiji、Yuko Miyamoto、Yuki Kunoh、Reiko Okamoto、Hidemasa Nakaminami、Yuri Yamazaki、Norihisa Noguchi、Yoshio Hayashi

  DOI：10.1021/ml300350p

  日期：2013.2.14

  The bacterial RNA polymerase (RNAP) is an ideal target for the development of antimicrobial agents against drug-resistant bacteria. Especially, the switch region within RNAP has been considered as an attractive binding site for drug discovery. Here, we designed and synthesized a series of novel hybrid-type inhibitors of bacterial RNAP. The antimicrobial activities were evaluated using a paper disk diffusion assay, and selected derivatives were tested to determine their MIC values. The hybrid-type antimicrobial agent 29 showed inhibitory activity against Escherichia coli RNAP. The molecular docking study suggested that the RNAP switch region would be the binding site of 29.