2-(3-fluoro-2-methylphenoxy)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine | 1165860-57-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(3-fluoro-2-methylphenoxy)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine
• 英文别名: 2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxypyridin-3-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
• CAS: 1165860-57-0
• 化学式: C₂₀H₁₇FN₆O₂
• 分子量: 392.392
• InChiKey: CFZOGYJFQBTDKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  87.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-chloro-5-[4-(6-methoxy-pyridin-3-yl)-5-methyl-4H-[1,2,4]triazol-3-yl]-pyrazine 、 3-氟-2-甲基苯酚 在 caesium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成 2-(3-fluoro-2-methylphenoxy)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine
  参考文献：
  名称：

  Aryloxypyrazines as highly selective antagonists of Oxytocin

  摘要：

  A series of aryloxypyrazines were designed based on structural overlap with previously reported arylpyrazine Oxytocin antagonists. Similarly high levels of Oxytocin antagonism were achievable in this new series. In addition, significant improvements in selectivity over the related vasopressin V(1A) receptor were also possible. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.160

文献信息

• Aryloxypyrazines as highly selective antagonists of Oxytocin
  作者：Alan Brown、Dave Ellis、David Pearce、Michael Ralph、Nunzio Sciammetta

  DOI：10.1016/j.bmcl.2009.03.160

  日期：2009.5

  A series of aryloxypyrazines were designed based on structural overlap with previously reported arylpyrazine Oxytocin antagonists. Similarly high levels of Oxytocin antagonism were achievable in this new series. In addition, significant improvements in selectivity over the related vasopressin V(1A) receptor were also possible. (C) 2009 Elsevier Ltd. All rights reserved.