Methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-pyridin-3-ylpropanoate | 176222-71-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-pyridin-3-ylpropanoate
• CAS: 176222-71-2
• 化学式: C₂₁H₂₈N₂O₄
• 分子量: 372.464
• InChiKey: YLVPBRDSZAXAMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  77.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-pyridin-3-ylpropanoate 在 lithium hydroxide 、 N,N'-二环己基碳二亚胺 作用下， 以 1,4-二氧六环 、 乙酸乙酯 为溶剂， 反应 4.0h， 生成 methyl 4-[[(1R)-2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-pyridin-3-ylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoate
  参考文献：
  名称：

  Synthesis and receptor-binding affinity of dipeptoid cholecystokinin ligands

  摘要：

  This paper describes the synthesis of novel derivatives 4a-i, which are structurally related to PD134308 and in which the indole moiety is replaced by other aromatic groups. Cholecystokinin-A and -B (CCK-A and CCK-B) receptor binding affinities of these analogues are described and the contribution of the various rings is discussed. Several of the compounds prepared have CCK-B receptor binding values similar to that reported for PD134308 and are highly selective over the CCK-A receptor. They represent potential therapeutic agents for anxiety.

  DOI：

  10.1016/0223-5234(96)89137-9
• 作为产物：
  描述：

  2-Methyl-2-{[1-phenyl-meth-(E)-ylidene]-amino}-3-pyridin-3-yl-propionic acid methyl ester 在 盐酸 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成 Methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-pyridin-3-ylpropanoate
  参考文献：
  名称：

  Synthesis and receptor-binding affinity of dipeptoid cholecystokinin ligands

  摘要：

  This paper describes the synthesis of novel derivatives 4a-i, which are structurally related to PD134308 and in which the indole moiety is replaced by other aromatic groups. Cholecystokinin-A and -B (CCK-A and CCK-B) receptor binding affinities of these analogues are described and the contribution of the various rings is discussed. Several of the compounds prepared have CCK-B receptor binding values similar to that reported for PD134308 and are highly selective over the CCK-A receptor. They represent potential therapeutic agents for anxiety.

  DOI：

  10.1016/0223-5234(96)89137-9