N-((4'-formyl-[1,1'-biphenyl]-2-yl)methyl)-N-(3-methoxypropyl)-2-phenylacetamide | 1100255-84-2

• 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-((4'-formyl-[1,1'-biphenyl]-2-yl)methyl)-N-(3-methoxypropyl)-2-phenylacetamide
• CAS: 1100255-84-2
• 化学式: C₂₆H₂₇NO₃
• 分子量: 401.505
• InChiKey: QYYPWSPACIDJJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.77
• 重原子数：
  30.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  46.61
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-((4'-formyl-[1,1'-biphenyl]-2-yl)methyl)-N-(3-methoxypropyl)-2-phenylacetamide 在 sodium chlorite 、 氨基磺酸 作用下， 以 四氢呋喃 、 水 为溶剂， 以54%的产率得到C₂₆H₂₇NO₄
  参考文献：
  名称：

  Identification of small molecule agonists of the motilin receptor

  摘要：

  High-throughput screening resulted in the identification of a series of novel motilin receptor agonists with relatively low molecular weights. The series originated from an array of biphenyl derivatives designed to target 7-transmembrane (7-TM) receptors. Further investigation of the structure-activity relationship within the series resulted in the identi. cation of compound (22) as a potent and selective agonist at the motilin receptor. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.071
• 作为产物：
  描述：

  、 4-甲酰基苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 以82%的产率得到N-((4'-formyl-[1,1'-biphenyl]-2-yl)methyl)-N-(3-methoxypropyl)-2-phenylacetamide
  参考文献：
  名称：

  Identification of small molecule agonists of the motilin receptor

  摘要：

  High-throughput screening resulted in the identification of a series of novel motilin receptor agonists with relatively low molecular weights. The series originated from an array of biphenyl derivatives designed to target 7-transmembrane (7-TM) receptors. Further investigation of the structure-activity relationship within the series resulted in the identi. cation of compound (22) as a potent and selective agonist at the motilin receptor. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.071