2-Methyl-2-{[1-phenyl-meth-(E)-ylidene]-amino}-3-(5,6,7,8-tetrahydro-naphthalen-2-yl)-propionic acid methyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 2-Methyl-2-{[1-phenyl-meth-(E)-ylidene]-amino}-3-(5,6,7,8-tetrahydro-naphthalen-2-yl)-propionic acid methyl ester
• 英文别名: Methyl 2-(benzylideneamino)-2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate
• 化学式: C₂₂H₂₅NO₂
• 分子量: 335.446
• InChiKey: APGJOZDZYOTOTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Methyl-2-{[1-phenyl-meth-(E)-ylidene]-amino}-3-(5,6,7,8-tetrahydro-naphthalen-2-yl)-propionic acid methyl ester 在 盐酸 、 lithium hydroxide 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醚 为溶剂， 生成 N-<(2-adamantyloxy)carbonyl>-DL-α-methyl-3-<2-(5,6,7,8)-tetrahydronaphthyl>alanine
  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：

  6-氯甲基-1,2,3,4-四氢萘 、 methyl 2-(benzylideneamino)propanoate 在 氢氧化钾 、 苄基三乙基氯化铵 作用下， 以 二氯甲烷 为溶剂， 生成 2-Methyl-2-{[1-phenyl-meth-(E)-ylidene]-amino}-3-(5,6,7,8-tetrahydro-naphthalen-2-yl)-propionic acid methyl ester
  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