2-morpholino-N-(4-(pyridin-3-yl)phenyl)acetamide | 1365999-73-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-morpholino-N-(4-(pyridin-3-yl)phenyl)acetamide
• 英文别名: 2-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)acetamide
• CAS: 1365999-73-0
• 化学式: C₁₇H₁₉N₃O₂
• 分子量: 297.357
• InChiKey: XMCWWJUSOBWMFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  54.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-溴-n-(4-溴苯基)乙酰胺 在 四(三苯基膦)钯 、 sodium carbonate 、 三乙胺 、 sodium iodide 作用下， 以 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 34.0h， 生成 2-morpholino-N-(4-(pyridin-3-yl)phenyl)acetamide
  参考文献：
  名称：

  Consequences of linker length alteration of the α7 nicotinic acetylcholine receptor (nAChR) agonist, SEN12333

  摘要：

  A series of ligands based on SEN12333, containing either contracted or elongated alkyl chains, were synthesized and evaluated in molecular docking studies against a homology model of the alpha 7 nicotinic acetylcholine receptor (nAChR) subtype. The predicted binding of all ligands was highly similar, with the exception of the analog containing a 5 methylene unit spacer. However, in vitro competition binding assays revealed that the ligands possessed dissimilar binding affinities, with a K-i range of more than an order of magnitude (K-i = 0.50 to >10 mu M), and only SEN12333 itself exhibited functional activity at the alpha 7 nAChR. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.02.052

文献信息

• Consequences of linker length alteration of the α7 nicotinic acetylcholine receptor (nAChR) agonist, SEN12333
  作者：Corinne Beinat、Samuel D. Banister、Saundra van Prehn、Munikumar Reddy Doddareddy、David Hibbs、Michael Sako、Mary Chebib、Thao Tran、Nour Al-Muhtasib、Yingxian Xiao、Michael Kassiou

  DOI：10.1016/j.bmcl.2012.02.052

  日期：2012.4

  A series of ligands based on SEN12333, containing either contracted or elongated alkyl chains, were synthesized and evaluated in molecular docking studies against a homology model of the alpha 7 nicotinic acetylcholine receptor (nAChR) subtype. The predicted binding of all ligands was highly similar, with the exception of the analog containing a 5 methylene unit spacer. However, in vitro competition binding assays revealed that the ligands possessed dissimilar binding affinities, with a K-i range of more than an order of magnitude (K-i = 0.50 to >10 mu M), and only SEN12333 itself exhibited functional activity at the alpha 7 nAChR. (C) 2012 Elsevier Ltd. All rights reserved.