N-(4-acetylphenyl)-2-(4-ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)acetamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(4-acetylphenyl)-2-(4-ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)acetamide
• 英文别名: N-(4-acetylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• 化学式: C₂₀H₂₀N₄O₂S
• 分子量: 380.47
• InChiKey: YYOSSEJUGWKAOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(4-acetylphenyl)-2-(4-ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)acetamide 、 盐酸羟胺 以 乙醇 为溶剂， 以85%的产率得到2-(4-ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-[4-(1-hydroxyiminoethyl)phenyl]acetamide
  参考文献：
  名称：

  1,2,4-Triazole/oxime hybrids as new strategy for nitric oxide donors: Synthesis, anti-inflammatory, ulceroginicity and antiproliferative activities

  摘要：

  A series of novel nitric oxide (NO) donating triazole/oxime hybrids was prepared and evaluated for their anti-inflammatory activity and antiproliferative activity. Most of the tested compounds showed significant anti-inflammatory activity using carrageenan-induced rat paw edema method compared to indomethacin. Calculation of the ulcer indices and histopathological investigation indicated that the prepared NO-donating oximes exhibited less ulcerogenicity compared to their ketone intermediates and indomethacin. The NO-donating oximes 7i and 7k achieved remarkable cell growth inhibition activity against most of the tested cell lines. Compound 7k was found to be with high selectivity against CNS subpanel with selectivity ratio of 11.99 at GI(50) level. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.11.006
• 作为产物：
  描述：

  1-benzoyl-4-ethyl thiosemicarbazide 在 三乙胺 、 sodium hydroxide 作用下， 以 乙腈 为溶剂， 生成 N-(4-acetylphenyl)-2-(4-ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)acetamide
  参考文献：
  名称：

  1,2,4-Triazole/oxime hybrids as new strategy for nitric oxide donors: Synthesis, anti-inflammatory, ulceroginicity and antiproliferative activities

  摘要：

  A series of novel nitric oxide (NO) donating triazole/oxime hybrids was prepared and evaluated for their anti-inflammatory activity and antiproliferative activity. Most of the tested compounds showed significant anti-inflammatory activity using carrageenan-induced rat paw edema method compared to indomethacin. Calculation of the ulcer indices and histopathological investigation indicated that the prepared NO-donating oximes exhibited less ulcerogenicity compared to their ketone intermediates and indomethacin. The NO-donating oximes 7i and 7k achieved remarkable cell growth inhibition activity against most of the tested cell lines. Compound 7k was found to be with high selectivity against CNS subpanel with selectivity ratio of 11.99 at GI(50) level. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.11.006

文献信息

• Compositions for inhibition of insect sensing
  申请人：Vanderbilt University

  公开号：US10188105B2

  公开（公告）日：2019-01-29

  In one aspect, the invention relates to chemical modulators of insect olfactory receptors. In particular, compounds and compositions are provided that can inhibit sensory (e.g., host targeting) functions in airborne insects such as mosquitoes. Method of employing such agents, and articles incorporating the same, are also provided. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  一方面，本发明涉及昆虫嗅觉受体的化学调节剂。特别是，本发明提供了可抑制蚊子等空气传播昆虫的感官（如宿主靶向）功能的化合物和组合物。此外，还提供了使用此类制剂的方法以及含有此类制剂的物品。本摘要旨在作为一种扫描工具，用于特定技术领域的搜索，而非对本发明的限制。
• COMPOSITION FOR INHIBITION OF INSECT SENSING
  申请人：Vanderbilt University

  公开号：EP2704575B1

  公开（公告）日：2020-06-03
• Compositions for Inhibition of Insect Sensing
  申请人：Vanderbilt University

  公开号：US20170208809A1

  公开（公告）日：2017-07-27

  In one aspect, the invention relates to chemical modulators of insect olfactory receptors. In particular, compounds and compositions are provided that can inhibit sensory (e.g., host targeting) functions in airborne insects such as mosquitoes. Method of employing such agents, and articles incorporating the same, are also provided. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.
• US9578881B2
  申请人：——

  公开号：US9578881B2

  公开（公告）日：2017-02-28
• [EN] COMPOSITION FOR INHIBITION OF INSECT SENSING<br/>[FR] COMPOSITION DESTINÉE À INHIBER LES PERCEPTIONS DES INSECTES
  申请人：UNIV VANDERBILT

  公开号：WO2012154403A2

  公开（公告）日：2012-11-15

  In one aspect, the invention relates to chemical modulators of insect olfactory receptors. In particular, compounds and compositions are provided that can inhibit sensory (e.g., host targeting) functions in airborne insects such as mosquitos. Method of employing such agents, and articles incorporating the same, are also provided. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.