2-(2-Adamantyloxycarbonylamino)-2-methyl-3-(4-phenylphenyl)propanoic acid | 176222-44-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2-Adamantyloxycarbonylamino)-2-methyl-3-(4-phenylphenyl)propanoic acid
• CAS: 176222-44-9
• 化学式: C₂₇H₃₁NO₄
• 分子量: 433.547
• InChiKey: NHKPSUIGIRMDEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2-Adamantyloxycarbonylamino)-2-methyl-3-(4-phenylphenyl)propanoic acid 在 lithium hydroxide 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 反应 7.0h， 生成 4-[[(1R)-2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-(4-phenylphenyl)propanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid
  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-adamantyl chloroformate 在 lithium hydroxide 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 生成 2-(2-Adamantyloxycarbonylamino)-2-methyl-3-(4-phenylphenyl)propanoic acid
  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

文献信息

• Synthesis and receptor-binding affinity of dipeptoid cholecystokinin ligands
  作者：G Araldi、D Donati、B Oliosi、A Pasquarello、S Polinelli、G Tarzia、A Ursini、FTM van Amsterdam

  DOI：10.1016/0223-5234(96)89137-9

  日期：1996.1

  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.