N′,N′″-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methanylylidene))di(benzohydrazide)

• 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′,N′″-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methanylylidene))di(benzohydrazide)
• 英文别名: N',N'''-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methanylylidene))di(benzohydrazide)；(N',N'''-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methanylylidene))di(benzohydrazide))；N-[[2-[2-[2-[(benzoylhydrazinylidene)methyl]phenoxy]ethoxy]phenyl]methylideneamino]benzamide
• 化学式: C₃₀H₂₆N₄O₄
• 分子量: 506.561
• InChiKey: SYCDWYFYCFUYJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N′,N′″-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methanylylidene))di(benzohydrazide) 、 cadmium(II) chloride 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  具有施主原子的N2O2基团的新型大环席夫碱及其配合物的合成。研究了表征和抗癌筛选

  摘要：

  通过缩合反应形成新的席夫碱[ N '，N '''-（（（乙烷-1,2-二芳基双（氧基））双（2,1-亚苯基））双（亚甲基亚芳基））二（苯并酰肼）苯甲酰肼与2,2'-（乙烷-1,2-二基双（氧基））二苯甲醛 研究了其与各种金属离子的反应，并使用常规分析和光谱方法表征了新产物的结构。所有金属配合物均具有明显的抗癌活性。研究了对革兰氏阴性和革兰氏阳性细菌的抗菌活性。

  DOI：

  10.1002/aoc.3694
• 作为产物：
  描述：

  2-[2-(2-甲烷酰苯氧基)乙氧基]苯甲醛 、 苯甲酰肼 在 N-甲基乙酰胺 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以82%的产率得到N′,N′″-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methanylylidene))di(benzohydrazide)
  参考文献：
  名称：

  Synthesis of novel Schiff’s bases of highly potential biological activities and their structure investigation

  摘要：

  Novel bisaldehyde-hydrazide Schiff's bases AS1 (2,2'-(ethane-1,2-diylbis(oxy))dibenzaldehyde terephthalohydrazide) and AS2 (N',N'''-(((ethane-1,2-diyIbis(oxy))bis(2,1-phenylene))bis(methanylylidene)) di(benzohydrazide)) were prepared as new macrocyclic compounds via condensation reactions. AS1 had been prepared by condensation between (2,2'-(ethane-1,2-diyIbis(oxy))dibenzaldehyde) bisaldehyde and terephthalohydrazide in a ratio 1:1. AS2 had been obtained by condensation between (2,2'-(ethane-1, 2-diyIbis(oxy))dibenzaldehyde) bisaldehyde and benzohydrazide in ratio 1:2. The structures of AS1 and AS2 were characterized by elemental analysis (EA), mass (MS), FT-IR and H-1-NMR spectra, and thermal analyses (TG, DTG). The activation thermodynamic parameters such as Delta E*, Delta N*, Delta S* and Delta G* were calculated from the TG curves using Coats-Redfern method. It is important to investigate their molecular structures to know the active groups and weak bonds responsible for their biological activities. Consequently in the present work, the obtained thermal (TA) and mass (MS) practical results are confirmed by semi-empirical MO-calculations (MOCS) using PM3 procedure. Their biological activities had been tested in vitro against Escherichia coil, Proteus vulgaris, Bacillus subtilis and Staphylococcus aurous bacteria in order to assess their anti-microbial potential. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2015.02.024

文献信息

• SELECTIVE ANTI-MYCOBACTERIAL PREPARATIONS, METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS
  申请人：Institut Organicheskogo Sinteza Uralskogo Otdeleniya Rossiiskoi Akademii Nauck

  公开号：EP1081131A1

  公开（公告）日：2001-03-07

  The present invention relates to new non-cyclic analogues of crown ethers (podands). principally di(formylaryl)polyethers, as well as to their hydrazones comprising substituted hydrazines of formula (I) where Ar is substituted phenylen or naphtylen. Y is an atom of hydrogen, halogen or a metoxy group, R is an oxygen atom or a NNH-R1 group, R1 is substituted phenyl, benzoyl or a 2- or 4-nicotinoyl. n is an integer between 1 and 3 and m is an integer between 1 and 4. This invention also relates to pharmaceutically acceptable addition salts and co-ordination compounds used as selective anti-mycobacterial preparations, as well as to a method for producing the same and to pharmaceutical compositions. The compounds of the present invention can essentially be used as an active basis in pharmaceutical preparations used for treating patients affected by mycobactenoses, including tuberculosis. These compounds consist of anti-mycobacterial preparations having a high specificity towards mycobacteria, a high activity against atypical, typical and resistant attains of mycobacteria, as well as a low toxicity. These compounds can be used in practical medicine for treating patients infected by sensitive and resistant as well as by typical and atypical strains of mycobacteria.

  本发明涉及新的冠醚（podands）非环类似物，主要是二（甲酰基芳基）聚醚，以及由式（I）取代的肼组成的肼 其中Ar是取代的苯基或萘基，Y是氢、卤素或甲氧基原子，R是氧原子或NNH-R1基团，R1是取代的苯基、苯甲酰基或2-或4-烟酸基。Y 是氢、卤素或甲氧基原子，R 是氧原子或 NNH-R1 基团，R1 是取代的苯基、苯甲酰基或 2-或 4-烟酰基，n 是介于 1 和 3 之间的整数，m 是介于 1 和 4 之间的整数。本发明还涉及用作选择性抗霉菌制剂的药学上可接受的加成盐和配位化合物，以及生产这些化合物和药物组合物的方法。本发明的化合物基本上可作为药物制剂的活性基础，用于治疗受霉菌病（包括结核病）影响的患者。这些化合物包括对分枝杆菌具有高度特异性的抗分枝杆菌制剂，对非典型、典型和耐药性分枝杆菌具有高活性以及低毒性。这些化合物可用于治疗受敏感和耐药以及典型和非典型分枝杆菌感染的病人。