1-Benzo[b]thiophen-2-ylmethyl-5-fluoro-1H-indole-2,3-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-Benzo[b]thiophen-2-ylmethyl-5-fluoro-1H-indole-2,3-dione
• 英文别名: 1-(1-benzothiophen-2-ylmethyl)-5-fluoroindole-2,3-dione
• 化学式: C₁₇H₁₀FNO₂S
• 分子量: 311.336
• InChiKey: ANYDLXSQWBLIIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  65.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-氟靛红 、 苯并[b]噻吩,2-(溴甲基)- 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-Benzo[b]thiophen-2-ylmethyl-5-fluoro-1H-indole-2,3-dione
  参考文献：
  名称：

  Synthesis and evaluation of isatin derivatives as effective SARS coronavirus 3CL protease inhibitors

  摘要：

  N-Substituted isatin derivatives were prepared from the reaction of isatin and various bromides via two steps. Bioactivity assay results (in vitro tests) demonstrated that some of these compounds are potent and selective inhibitors against SARS coronavirus 3CL protease with IC50 values ranging from 0.95 to 17.50 mu M. Additionally, isatin 4o exhibited more potent inhibition for SARS coronavirus protease than for other proteases including papain, chymotrypsin, and trypsin. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.027

文献信息

• Synthesis and evaluation of isatin derivatives as effective SARS coronavirus 3CL protease inhibitors
  作者：Li-Rung Chen、Yu-Chin Wang、Yi Wen Lin、Shan-Yen Chou、Shyh-Fong Chen、Lee Tai Liu、Ying-Ta Wu、Chih-Jung Kuo、Tom Shieh-Shung Chen、Shin-Hun Juang

  DOI：10.1016/j.bmcl.2005.04.027

  日期：2005.6

  N-Substituted isatin derivatives were prepared from the reaction of isatin and various bromides via two steps. Bioactivity assay results (in vitro tests) demonstrated that some of these compounds are potent and selective inhibitors against SARS coronavirus 3CL protease with IC50 values ranging from 0.95 to 17.50 mu M. Additionally, isatin 4o exhibited more potent inhibition for SARS coronavirus protease than for other proteases including papain, chymotrypsin, and trypsin. (c) 2005 Elsevier Ltd. All rights reserved.