N-[(Z)-2-[4-(2-bromophenoxy)phenyl]-1-(methoxycarbamoyl)vinyl]benzamide

• 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-[(Z)-2-[4-(2-bromophenoxy)phenyl]-1-(methoxycarbamoyl)vinyl]benzamide
• 英文别名: N-[(Z)-1-[4-(2-bromophenoxy)phenyl]-3-(methoxyamino)-3-oxoprop-1-en-2-yl]benzamide
• 化学式: C₂₃H₁₉BrN₂O₄
• 分子量: 467.319
• InChiKey: XEDDBFHCVCMOMM-HKWRFOASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (2Z)-2-(benzoylamino)-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid 在 草酰氯 、 三乙胺 、 N,N-二甲基甲酰胺 、 肼 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 N-[(Z)-2-[4-(2-bromophenoxy)phenyl]-1-(methoxycarbamoyl)vinyl]benzamide
  参考文献：
  名称：

  Inhibitors of HCV NS5B polymerase. Part 2: Evaluation of the northern region of (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid

  摘要：

  A novel series of non-nucleoside HCV NS5B polymerase inhibitors was prepared from a (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid template. Solution and solid phase analog synthesis focused on the northern region of the template combined with structure based design led to the discovery of several potent and orally bioavailable lead compounds.

  DOI：

  10.1016/j.bmcl.2005.03.106

文献信息

• Inhibitors of HCV NS5B polymerase
  申请人：Finzel Craig Barry

  公开号：US20060004063A1

  公开（公告）日：2006-01-05

  The present invention provides compounds of Formula I, compositions and methods that are useful for treating viral infections and associated diseases, particularly HCV infections and associated diseases.

  本发明提供了I式化合物、组合物和方法，用于治疗病毒感染和相关疾病，特别是HCV感染和相关疾病。
• US7041690B2
  申请人：——

  公开号：US7041690B2

  公开（公告）日：2006-05-09
• Inhibitors of HCV NS5B polymerase. Part 2: Evaluation of the northern region of (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid
  作者：Jeffrey A. Pfefferkorn、Richard Nugent、Rebecca J. Gross、Meredith Greene、Mark A. Mitchell、Matthew T. Reding、Lee A. Funk、Rebecca Anderson、Peter A. Wells、John A. Shelly、Robert Anstadt、Barry C. Finzel、Melissa S. Harris、Robert E. Kilkuskie、Laurice A. Kopta、Francis J. Schwende

  DOI：10.1016/j.bmcl.2005.03.106

  日期：2005.6

  A novel series of non-nucleoside HCV NS5B polymerase inhibitors was prepared from a (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid template. Solution and solid phase analog synthesis focused on the northern region of the template combined with structure based design led to the discovery of several potent and orally bioavailable lead compounds.