(E)-2-hydroxy-N-(6-(2-hydroxy-3,5-diiodobenzylideneamino)hexyl)benzamide | 1202748-86-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E)-2-hydroxy-N-(6-(2-hydroxy-3,5-diiodobenzylideneamino)hexyl)benzamide
• CAS: 1202748-86-4
• 化学式: C₂₀H₂₂I₂N₂O₃
• 分子量: 592.215
• InChiKey: DKXKAVIMLLIUON-YDZHTSKRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.72
• 重原子数：
  27.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  81.92
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  3,5-二碘邻羟基苯醛 、 N-(6-Amino-hexyl)-2-hydroxy-benzamide 以 甲醇 为溶剂， 反应 3.0h， 以85%的产率得到(E)-2-hydroxy-N-(6-(2-hydroxy-3,5-diiodobenzylideneamino)hexyl)benzamide
  参考文献：
  名称：

  Synthesis, antibacterial activities and molecular docking studies of peptide and Schiff bases as targeted antibiotics

  摘要：

  A series of peptide and Schiff bases (PSB) were synthesized by reacting salicylic acid, primary diamines with salicylaldehyde or its derivatives, and 40 of which were newly reported. The inhibitory activities against Escherichia coli beta-ketoacyl-acyl carrier protein synthase III (ecKAS III) were investigated in vitro and molecular docking simulation also surveyed. Top 10 PSB compounds which posses both good inhibitory activity and well binding affinities were picked out, and their antibacterial activities against Gram-negative and Gram-positive bacterial strains were tested, expecting to exploit potent antibacterial agent with broad-spectrum antibiotics activity. The results demonstrate compound N-(3-(5-bromo-2-hydroxybenzylideneamino)propyl)-2-hydroxybenzamide (2d) can be as a potential antibiotics agent, displaying minimal inhibitory concentration values in the range of 0.39-3.13 mu g/mL against various bacteria. Crown Copyright (c) 2009 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.10.037

文献信息

• Synthesis, antibacterial activities and molecular docking studies of peptide and Schiff bases as targeted antibiotics
  作者：Kui Cheng、Qing-Zhong Zheng、Yong Qian、Lei Shi、Jing Zhao、Hai-Liang Zhu

  DOI：10.1016/j.bmc.2009.10.037

  日期：2009.12

  A series of peptide and Schiff bases (PSB) were synthesized by reacting salicylic acid, primary diamines with salicylaldehyde or its derivatives, and 40 of which were newly reported. The inhibitory activities against Escherichia coli beta-ketoacyl-acyl carrier protein synthase III (ecKAS III) were investigated in vitro and molecular docking simulation also surveyed. Top 10 PSB compounds which posses both good inhibitory activity and well binding affinities were picked out, and their antibacterial activities against Gram-negative and Gram-positive bacterial strains were tested, expecting to exploit potent antibacterial agent with broad-spectrum antibiotics activity. The results demonstrate compound N-(3-(5-bromo-2-hydroxybenzylideneamino)propyl)-2-hydroxybenzamide (2d) can be as a potential antibiotics agent, displaying minimal inhibitory concentration values in the range of 0.39-3.13 mu g/mL against various bacteria. Crown Copyright (c) 2009 Published by Elsevier Ltd. All rights reserved.