phenyl-(4,5,7-trifluoro-6-(1H-imidazol-1-yl)benzo[b]thiophen-2-yl)methanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: phenyl-(4,5,7-trifluoro-6-(1H-imidazol-1-yl)benzo[b]thiophen-2-yl)methanone
• 英文别名: Phenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone；phenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone
• 化学式: C₁₈H₉F₃N₂OS
• 分子量: 358.343
• InChiKey: FKLZUEVDIKNTCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-乙酰基硫代苯乙酮 在 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 30.0h， 生成 phenyl-(4,5,7-trifluoro-6-(1H-imidazol-1-yl)benzo[b]thiophen-2-yl)methanone
  参考文献：
  名称：

  Design, synthesis and antitrypanosomal activities of 2,6-disubstituted-4,5,7-trifluorobenzothiophenes

  摘要：

  Current treatments for Human African Trypanosomiasis (HAT) are limited in their application, have undesirable dosing regimens and unsatisfactory toxicities highlighting the need for the development of a safer drug pipeline. Our medicinal chemistry programme in developing rapidly accessible and modifiable heterocyclic scaffolds led to the design and synthesis of novel substituted benzothiophenes, with 6-benzimidazol-1-ylbenzothiophene derivatives demonstrating significant antitrypanosomal activities (IC50 < 1 mu M) against Trypanosoma brucei rhodesiense and no toxicity towards mammalian cells. Crown Copyright (C) 2015 Published by Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2015.11.043

文献信息

• Design, synthesis and antitrypanosomal activities of 2,6-disubstituted-4,5,7-trifluorobenzothiophenes
  作者：Avninder S. Bhambra、Mark Edgar、Mark R.J. Elsegood、Yuqi Li、George W. Weaver、Randolph R.J. Arroo、Vanessa Yardley、Hollie Burrell-Saward、Vladimir Krystof

  DOI：10.1016/j.ejmech.2015.11.043

  日期：2016.1

  Current treatments for Human African Trypanosomiasis (HAT) are limited in their application, have undesirable dosing regimens and unsatisfactory toxicities highlighting the need for the development of a safer drug pipeline. Our medicinal chemistry programme in developing rapidly accessible and modifiable heterocyclic scaffolds led to the design and synthesis of novel substituted benzothiophenes, with 6-benzimidazol-1-ylbenzothiophene derivatives demonstrating significant antitrypanosomal activities (IC50 < 1 mu M) against Trypanosoma brucei rhodesiense and no toxicity towards mammalian cells. Crown Copyright (C) 2015 Published by Elsevier Masson SAS. All rights reserved.