N'-(4-hydroxybenzylidene)stearohydrazide | 186824-10-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: N'-(4-hydroxybenzylidene)stearohydrazide
• 英文别名: N-[(4-hydroxyphenyl)methylideneamino]octadecanamide
• CAS: 186824-10-2
• 化学式: C₂₅H₄₂N₂O₂
• 分子量: 402.621
• InChiKey: PRKUVIMZOQLFDL-UHFFFAOYSA-N

物化性质

• 密度：
  0.983±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  29
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  61.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  硬脂酸乙酯 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 N'-(4-hydroxybenzylidene)stearohydrazide
  参考文献：
  名称：

  Antimicrobial evaluation of 4-methylsulfanyl benzylidene/3-hydroxy benzylidene hydrazides and QSAR studies

  摘要：

  A series of 4-methylsulfanyl benzylidene/3-hydroxy benzylidene hydrazides (1-20) was synthesized and tested for in vitro antimicrobial activity against S. aureus, B. subtilis, E. coli, C. albicans and A. niger. The results of antimicrobial studies indicated that 3-phenylacrylic acid-(3-hydroxybenzylidene)-hydrazide, 16, was the most effective as it showed both bactericidal and fungicidal properties and other compounds possessed bacteriostatic/fungistatic activity. The multi-target QSAR model demonstrated that the topological parameter, Balaban topological index (J) is effective in describing the antimicrobial activity of synthesized substituted hydrazides.

  DOI：

  10.1007/s00044-010-9543-7

文献信息

• Synthesis, ADME, docking studies and in vivo anti-hyperglycaemic potential estimation of novel Schiff base derivatives from octadec-9-enoic acid
  作者：Garima Kapoor、Dharam Pal Pathak、Rubina Bhutani、Asif Husain、Sandeep Jain、Md. Azhar Iqbal

  DOI：10.1016/j.bioorg.2018.12.004

  日期：2019.3

  as best situated in the vital sites of receptor having docking scores -9.19, -8.68 and -8.64 respectively. Free binding energy measured using model of Maestro 9.0 and was in range of from -40.01 and -80.54 kcal/mol, significant when compared with pioglitazone (-51.58 Kcal/mol). Seven best docked derivatives were assessed for in-vivo oral glucose tolerance on normal rats and anti-hyperglycaemic activity

  设计并合成了一系列新的十八烷基-9-烯酸席夫碱实体（S1-S30），靶向过氧化物酶体增殖物激活的受体-γ，以产生激动剂作用。使用Molinspiration软件（在线）来估算代谢物的类药物分子性质。对PPAR-γ（PDB ID 1FM9）的共结晶蛋白进行了对接鉴定，结果表明S21，S10和S7分别位于对接分数分别为-9.19，-8.68和-8.64的受体的重要部位。使用Maestro 9.0模型测得的自由结合能在-40.01和-80.54 kcal / mol范围内，与吡格列酮相比是显着的（-51.58 Kcal / mol）。通过链脲佐菌素诱导的糖尿病模型评估了七种最佳对接衍生物的正常大鼠体内口服葡萄糖耐量和抗高血糖活性。S21被公认为是所有合成实体中测量最好的类似物。令人鼓舞的结果激励脂肪酸进一步开发更有效，更安全的化合物。
• Antimicrobial evaluation of 4-methylsulfanyl benzylidene/3-hydroxy benzylidene hydrazides and QSAR studies
  作者：Davinder Kumar、Rakesh Narang、Vikramjeet Judge、Devinder Kumar、Balasubramanian Narasimhan

  DOI：10.1007/s00044-010-9543-7

  日期：2012.3

  A series of 4-methylsulfanyl benzylidene/3-hydroxy benzylidene hydrazides (1-20) was synthesized and tested for in vitro antimicrobial activity against S. aureus, B. subtilis, E. coli, C. albicans and A. niger. The results of antimicrobial studies indicated that 3-phenylacrylic acid-(3-hydroxybenzylidene)-hydrazide, 16, was the most effective as it showed both bactericidal and fungicidal properties and other compounds possessed bacteriostatic/fungistatic activity. The multi-target QSAR model demonstrated that the topological parameter, Balaban topological index (J) is effective in describing the antimicrobial activity of synthesized substituted hydrazides.