N'-benzoyl-3-methoxy-N'-(nonan-5-yl)benzohydrazide | 1163722-24-4

• 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: N'-benzoyl-3-methoxy-N'-(nonan-5-yl)benzohydrazide
• 英文别名: N'-benzoyl-3-methoxy-N'-nonan-5-ylbenzohydrazide
• CAS: 1163722-24-4
• 化学式: C₂₄H₃₂N₂O₃
• 分子量: 396.53
• InChiKey: NWYPYYCNKKIFEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-methoxy-N'-(nonan-5-yl)benzohydrazide 、 苯甲酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以64%的产率得到N'-benzoyl-3-methoxy-N'-(nonan-5-yl)benzohydrazide
  参考文献：
  名称：

  Diacylhydrazine derivatives as novel potential chitin biosynthesis inhibitors: Design, synthesis, and structure–activity relationship

  摘要：

  A series of diacylhydrazine derivatives containing hydrophobic alkyl chains have been designed and synthesized. The target molecules have been identified on the basis of analytical spectral (IR, H-1 NMR, C-13 NMR, and HRMS) data. All synthesized compounds have been screened for their potential inhibition in vitro against chitin synthesis using yeast cell extracts. The preliminary assays indicate that some of the compounds display moderate to good inhibitory activity. Structure-activity relationship (SAR) is also discussed based on the experimental data, and the further analysis of the quantitative structure-activity relationship (QSAR) indicates that the electronic parameter is the main factor to affect inhibition activities. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.01.004

文献信息

• Diacylhydrazine derivatives as novel potential chitin biosynthesis inhibitors: Design, synthesis, and structure–activity relationship
  作者：Shaoyong Ke、Xuhong Qian、Fengyi Liu、Ni Wang、Feng Fan、Zhong Li、Qing Yang

  DOI：10.1016/j.ejmech.2009.01.004

  日期：2009.7

  A series of diacylhydrazine derivatives containing hydrophobic alkyl chains have been designed and synthesized. The target molecules have been identified on the basis of analytical spectral (IR, H-1 NMR, C-13 NMR, and HRMS) data. All synthesized compounds have been screened for their potential inhibition in vitro against chitin synthesis using yeast cell extracts. The preliminary assays indicate that some of the compounds display moderate to good inhibitory activity. Structure-activity relationship (SAR) is also discussed based on the experimental data, and the further analysis of the quantitative structure-activity relationship (QSAR) indicates that the electronic parameter is the main factor to affect inhibition activities. (C) 2009 Elsevier Masson SAS. All rights reserved.