4-[[7-(3-Fluorophenyl)-5-nitro-1-benzofuran-2-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile | 1149350-35-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 4-[[7-(3-Fluorophenyl)-5-nitro-1-benzofuran-2-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile
• CAS: 1149350-35-5
• 化学式: C₂₆H₁₇FN₄O₄
• 分子量: 468.444
• InChiKey: DXEBREDQSQBFRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-((7-bromo-5-nitrobenzofuran-2-yl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile 、 3-氟苯基硼酸 在 tris-(dibenzylideneacetone)dipalladium(0) 、 sodium carbonate 、 三苯基膦 作用下， 以 甲醇 、 水 、 甲苯 为溶剂， 生成 4-[[7-(3-Fluorophenyl)-5-nitro-1-benzofuran-2-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile
  参考文献：
  名称：

  Synthesis and structure–activity relationships of novel benzofuran farnesyltransferase inhibitors

  摘要：

  A series of benzofuran-based farnesyltransferase inhibitors have been designed and synthesized as antitumor agents. Among them, 11f showed the most potent enzyme inhibitory activity (IC50 = 1.1 nM) and antitumor activity in human cancer xenografts in mice. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.01.074

文献信息

• Synthesis and structure–activity relationships of novel benzofuran farnesyltransferase inhibitors
  作者：Kohsuke Asoh、Masami Kohchi、Ikumi Hyoudoh、Tatsuo Ohtsuka、Miyako Masubuchi、Kenichi Kawasaki、Hirosato Ebiike、Yasuhiko Shiratori、Takaaki A. Fukami、Osamu Kondoh、Toshiyuki Tsukaguchi、Nobuya Ishii、Yuko Aoki、Nobuo Shimma、Masahiro Sakaitani

  DOI：10.1016/j.bmcl.2009.01.074

  日期：2009.3

  A series of benzofuran-based farnesyltransferase inhibitors have been designed and synthesized as antitumor agents. Among them, 11f showed the most potent enzyme inhibitory activity (IC50 = 1.1 nM) and antitumor activity in human cancer xenografts in mice. (C) 2009 Published by Elsevier Ltd.