ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate | 389635-18-1

• 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: ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate
• CAS: 389635-18-1
• 化学式: C₃₄H₃₀N₄O₅
• 分子量: 574.636
• InChiKey: PPAKRRKFMZRIOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  43
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  129
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoic acid
  参考文献：
  名称：

  Synthesis of N-terminal substituted anthranilic acid dimer derivatives for evaluation on CCK receptors

  摘要：

  A series of new N-substituted anthranilic acid dimer derivatives having a C-terminal Phe residue was synthesized,and evaluated for their affinity for CCK receptors. These compounds resulted from a blended approach based firstly on the use of an alternative substructure embedded within asperlicin and secondly on the derivatization of this template with substituents chosen considering the C-terminal primary structure of the endogenous ligand. Although these compounds exhibited a regnylogical-type organization similar to that of CCK-4, they are characterized by about 1000-fold greater affinity for CCK-A receptor than the C-terminal tetrapeptide. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01071-0
• 作为产物：
  描述：

  靛红酸酐 在 溶剂黄146 、 三乙胺 、 锌 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 7.0h， 生成 ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate
  参考文献：
  名称：

  Synthesis of N-terminal substituted anthranilic acid dimer derivatives for evaluation on CCK receptors

  摘要：

  A series of new N-substituted anthranilic acid dimer derivatives having a C-terminal Phe residue was synthesized,and evaluated for their affinity for CCK receptors. These compounds resulted from a blended approach based firstly on the use of an alternative substructure embedded within asperlicin and secondly on the derivatization of this template with substituents chosen considering the C-terminal primary structure of the endogenous ligand. Although these compounds exhibited a regnylogical-type organization similar to that of CCK-4, they are characterized by about 1000-fold greater affinity for CCK-A receptor than the C-terminal tetrapeptide. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01071-0