3-({4-[(diphenylmethoxycarbonyl)methyl]phenyl}amino)-2,2-dimethyl-3-oxopropanoic acid | 1345026-04-1

• 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: 3-({4-[(diphenylmethoxycarbonyl)methyl]phenyl}amino)-2,2-dimethyl-3-oxopropanoic acid
• 英文别名: 3-[4-(2-Benzhydryloxy-2-oxoethyl)anilino]-2,2-dimethyl-3-oxopropanoic acid
• CAS: 1345026-04-1
• 化学式: C₂₆H₂₅NO₅
• 分子量: 431.488
• InChiKey: LOCMPASSMQOWSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  diphenylmethyl (4-aminophenyl)acetate 、 二甲基丙二酸 在 N,N-二异丙基乙胺 、 fluoro-N,N,N',N'-tetramethylformamidinium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 反应 19.33h， 以14%的产率得到3-({4-[(diphenylmethoxycarbonyl)methyl]phenyl}amino)-2,2-dimethyl-3-oxopropanoic acid
  参考文献：
  名称：

  Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid

  摘要：

  Reported is the synthesis of azo mutual prodnigs of the nonsteroidal anti-inflammatory agents (NSAIDs) 4-aminophenylacetic acid (4-APAA) or 5-aminosalicylic acid (5-ASA) with peptides, including an antibiotic peptide temporin analogue modified at the amino terminal by an aaminoisobutyric acid (Aib) residue. These prodrugs are designed for colonic delivery of two agents to treat infection and inflammation by the bacterial pathogen Clostridium difficile.

  DOI：

  10.1021/jo201358e

文献信息

• Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid
  作者：David A. Kennedy、Nagarajan Vembu、Frank R. Fronczek、Marc Devocelle

  DOI：10.1021/jo201358e

  日期：2011.12.2

  Reported is the synthesis of azo mutual prodnigs of the nonsteroidal anti-inflammatory agents (NSAIDs) 4-aminophenylacetic acid (4-APAA) or 5-aminosalicylic acid (5-ASA) with peptides, including an antibiotic peptide temporin analogue modified at the amino terminal by an aaminoisobutyric acid (Aib) residue. These prodrugs are designed for colonic delivery of two agents to treat infection and inflammation by the bacterial pathogen Clostridium difficile.