Methyl 4-(6-methoxypyridin-2-yl)oxybenzoate | 1247778-31-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl 4-(6-methoxypyridin-2-yl)oxybenzoate
• CAS: 1247778-31-9
• 化学式: C₁₄H₁₃NO₄
• mdl: MFCD21464904
• 分子量: 259.262
• InChiKey: KKTSHGAKKXVHNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  57.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 4-(6-methoxypyridin-2-yl)oxybenzoate 在 二异丁基氢化铝 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 [4-(6-Methoxypyridin-2-yl)oxyphenyl]methanol
  参考文献：
  名称：

  Heterobiaryl and heterobiaryl ether derived M5 positive allosteric modulators

  摘要：

  This Letter describes a chemical lead optimization campaign directed at VU0238429, the first M-5-preferring positive allosteric modulator (PAM), discovered through analog work around VU0119498, a pan G(q) mAChR M-1, M-3, M-5 PAM. An iterative parallel synthesis approach was employed to incorporate basic heterocycles to improve physiochemical properties. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.042
• 作为产物：
  描述：

  2-氯-6-甲氧基吡啶 、 对羟基苯甲酸甲酯 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Methyl 4-(6-methoxypyridin-2-yl)oxybenzoate
  参考文献：
  名称：

  Heterobiaryl and heterobiaryl ether derived M5 positive allosteric modulators

  摘要：

  This Letter describes a chemical lead optimization campaign directed at VU0238429, the first M-5-preferring positive allosteric modulator (PAM), discovered through analog work around VU0119498, a pan G(q) mAChR M-1, M-3, M-5 PAM. An iterative parallel synthesis approach was employed to incorporate basic heterocycles to improve physiochemical properties. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.042

文献信息

• Heterobiaryl and heterobiaryl ether derived M5 positive allosteric modulators
  作者：Thomas M. Bridges、J. Phillip Kennedy、Corey R. Hopkins、P. Jeffrey Conn、Craig W. Lindsley

  DOI：10.1016/j.bmcl.2010.08.042

  日期：2010.10

  This Letter describes a chemical lead optimization campaign directed at VU0238429, the first M-5-preferring positive allosteric modulator (PAM), discovered through analog work around VU0119498, a pan G(q) mAChR M-1, M-3, M-5 PAM. An iterative parallel synthesis approach was employed to incorporate basic heterocycles to improve physiochemical properties. (C) 2010 Elsevier Ltd. All rights reserved.