N-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxypyridin-3-yl)azetidine-1-carboxamide | 1221161-09-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxypyridin-3-yl)azetidine-1-carboxamide
• CAS: 1221161-09-6
• 化学式: C₁₉H₂₂FN₃O₃
• 分子量: 359.4
• InChiKey: OXVKAENYXSMWHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  54.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  三光气 、 3-氟-2-甲基苯酚 、 3-甲磺酰基氮杂丁烷盐酸盐 、 N-ethyl-6-methoxypyridin-3-amine 在 N,N-二异丙基乙胺 、 caesium carbonate 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 以12%的产率得到N-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxypyridin-3-yl)azetidine-1-carboxamide
  参考文献：
  名称：

  Identification of a urea bioisostere of a triazole oxytocin antagonist

  摘要：

  A series of azetidine ureas were investigated as potential bioisosteres of previously reported azetidinyltriazole oxytocin antagonists. Although potency was somewhat reduced in several close-in analogues, one compound, 9, was both a potent oxytocin antagonist and demonstrated significant selectivity over the closely related vasopressin V(1A) receptor. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.143

文献信息

• Identification of a urea bioisostere of a triazole oxytocin antagonist
  作者：Alan Brown、Dave Ellis、Olga Wallace、Michael Ralph

  DOI：10.1016/j.bmcl.2010.01.143

  日期：2010.3

  A series of azetidine ureas were investigated as potential bioisosteres of previously reported azetidinyltriazole oxytocin antagonists. Although potency was somewhat reduced in several close-in analogues, one compound, 9, was both a potent oxytocin antagonist and demonstrated significant selectivity over the closely related vasopressin V(1A) receptor. (C) 2010 Elsevier Ltd. All rights reserved.