3-methoxy-N'-(nonan-5-ylidene)benzohydrazide | 1155868-59-9

• 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: 3-methoxy-N'-(nonan-5-ylidene)benzohydrazide
• CAS: 1155868-59-9
• 化学式: C₁₇H₂₆N₂O₂
• 分子量: 290.406
• InChiKey: RNOABOKDSMMCFK-UHFFFAOYSA-N

物化性质

• 密度：
  1.00±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.16
• 重原子数：
  21.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  50.69
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-methoxy-N'-(nonan-5-ylidene)benzohydrazide 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 生成 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
• 作为产物：
  描述：

  5-壬酮 、 3-甲氧基苯-1-碳酰肼 以 乙醇 为溶剂， 生成 3-methoxy-N'-(nonan-5-ylidene)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

• 1,3,4-Oxadiazoline derivatives as novel potential inhibitors targeting chitin biosynthesis: Design, synthesis and biological evaluation
  作者：Shaoyong Ke、Fengyi Liu、Ni Wang、Qing Yang、Xuhong Qian

  DOI：10.1016/j.bmcl.2008.11.095

  日期：2009.1

  Two series of 1,3,4-oxadiazoline heterocycle derivatives were designed, synthesized and identified. Bioactivity assays showed that all synthesized compounds inhibited chitin synthesis in yeast, suggesting they might be a novel class of potential inhibitors against chitin biosynthesis. The structure-activity relationships (SAR) of these compounds are discussed. (C) 2008 Elsevier Ltd. All rights reserved.