N-(3-methoxypropyl)-N-[[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-2-phenylacetamide | 1100255-70-6

• 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-(3-methoxypropyl)-N-[[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-2-phenylacetamide
• CAS: 1100255-70-6
• 化学式: C₃₁H₃₉N₃O₂
• 分子量: 485.67
• InChiKey: OHQXAECFYLQFIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  36
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 N-((4'-formyl-[1,1'-biphenyl]-2-yl)methyl)-N-(3-methoxypropyl)-2-phenylacetamide 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 生成 N-(3-methoxypropyl)-N-[[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-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