2-Cyano-N-(2-methoxy-benzyl)-acetamide | 309944-13-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-Cyano-N-(2-methoxy-benzyl)-acetamide
• 英文别名: 2-cyano-N-[(2-methoxyphenyl)methyl]acetamide
• CAS: 309944-13-6
• 化学式: C₁₁H₁₂N₂O₂
• 分子量: 204.228
• InChiKey: ODIXCBJYTYTCGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  62.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  邻甲氧基苄胺 、 氰乙酸 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 作用下， 生成 2-Cyano-N-(2-methoxy-benzyl)-acetamide
  参考文献：
  名称：

  Discovery and structure–activity relationships of small molecules that block the human immunoglobulin G–human neonatal Fc receptor (hIgG–hFcRn) protein–protein interaction

  摘要：

  The neonatal Fc receptor, FcRn, prolongs the half-life of IgG in the serum and represents a potential therapeutic target for the treatment of autoimmune disease. Small molecules that block the protein-protein interactions of human IgG-human FcRn may lower pathogenic autoantibodies and provide effective treatment. A novel class of quinoxalines has been discovered as antagonists of the IgG:FcRn protein-protein interaction through optimization of a hit derived from a virtual ligand-based screen. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.014

文献信息

• Modulators of LXR
  申请人：——

  公开号：US20030181420A1

  公开（公告）日：2003-09-25

  Compounds, compositions and methods for modulating the activity of nuclear receptors are provided. In particular, heterocyclic compounds are provided for modulating the activity of nuclear receptors, including liver X receptor (LXR) and orphan nuclear receptors. In certain embodiments, the compounds are N-substituted pyridones.

  提供了用于调节核受体活性的化合物、组合物和方法。具体来说，提供了用于调节核受体活性的杂环化合物，包括肝X受体（LXR）和孤儿核受体。在某些实施方式中，这些化合物是N-取代吡啶酮。
• US7998986B2
  申请人：——

  公开号：US7998986B2

  公开（公告）日：2011-08-16
• Discovery and structure–activity relationships of small molecules that block the human immunoglobulin G–human neonatal Fc receptor (hIgG–hFcRn) protein–protein interaction
  作者：Zhaolin Wang、Cara Fraley、Adam R. Mezo

  DOI：10.1016/j.bmcl.2013.01.014

  日期：2013.3

  The neonatal Fc receptor, FcRn, prolongs the half-life of IgG in the serum and represents a potential therapeutic target for the treatment of autoimmune disease. Small molecules that block the protein-protein interactions of human IgG-human FcRn may lower pathogenic autoantibodies and provide effective treatment. A novel class of quinoxalines has been discovered as antagonists of the IgG:FcRn protein-protein interaction through optimization of a hit derived from a virtual ligand-based screen. (c) 2013 Elsevier Ltd. All rights reserved.