Sodium;6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate | 1022906-12-2

• 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: Sodium;6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate
• CAS: 1022906-12-2
• 化学式: C₂₀H₁₅ClNO₃*Na
• 分子量: 375.787
• InChiKey: WWUWEDPNOONCOS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.27
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  62.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 6-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-2-pyridinecarboxylate 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 Sodium;6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate
  参考文献：
  名称：

  Discovery of sodium 6-[(5-chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)methyl]-2-pyridinecarboxylate (GSK269984A) an EP1 receptor antagonist for the treatment of inflammatory pain

  摘要：

  We describe the medicinal chemistry programme that led to the identification of the EP1 receptor antagonist GSK269984A (8h). GSK269984A was designed to overcome development issues encountered with previous EP1 antagonists such as GW848687X and was found to display excellent activity in preclinical models of inflammatory pain. However, upon cross species pharmacokinetic pro. ling, GSK269984A was predicted to have suboptimal human pharmacokinetic and was thus progressed to a human microdose study. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.112