4-(benzoylaminomethyl)-N-(aminooctyl)benzamide | 305835-74-9

• 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: 4-(benzoylaminomethyl)-N-(aminooctyl)benzamide
• 英文别名: N-(8-aminooctyl)-4-(benzamidomethyl)benzamide
• CAS: 305835-74-9
• 化学式: C₂₃H₃₁N₃O₂
• 分子量: 381.518
• InChiKey: ADILGAVYWHUTDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  28
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  84.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙二胺四乙酸二酐 、 4-(benzoylaminomethyl)-N-(aminooctyl)benzamide 在 三乙胺 作用下， 以 甲醇 为溶剂， 生成 2-[[2-[8-[[4-(Benzamidomethyl)benzoyl]amino]octylamino]-2-oxoethyl]-[2-[[2-[8-[[4-(benzamidomethyl)benzoyl]amino]octylamino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
  参考文献：
  名称：

  Synthesis of two bi-functional ligands for the QUEST three-hybrid system

  摘要：

  The synthesis is described for two bi-functional ligands (1) and (2) that have been used as chemical inducers of dimerization for QUEST,(1) a three-hybrid system designed to detect novel enzyme activity in vivo. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01202-8
• 作为产物：
  描述：

  4-氨甲基苯甲酸 在 三乙胺 、 氯甲酸异丁酯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 4-(benzoylaminomethyl)-N-(aminooctyl)benzamide
  参考文献：
  名称：

  Synthesis of two bi-functional ligands for the QUEST three-hybrid system

  摘要：

  The synthesis is described for two bi-functional ligands (1) and (2) that have been used as chemical inducers of dimerization for QUEST,(1) a three-hybrid system designed to detect novel enzyme activity in vivo. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01202-8

文献信息

• Synthesis of two bi-functional ligands for the QUEST three-hybrid system
  作者：Stephen J Baker、Steven M Firestine、David Smithrud、Frank Salinas、Stephen J Benkovic

  DOI：10.1016/s0040-4039(00)01202-8

  日期：2000.9

  The synthesis is described for two bi-functional ligands (1) and (2) that have been used as chemical inducers of dimerization for QUEST,(1) a three-hybrid system designed to detect novel enzyme activity in vivo. (C) 2000 Elsevier Science Ltd. All rights reserved.