2-[(4-丙基苯基)氨基]乙酸乙酯 | 100618-41-5

• 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
• 中文名称: 2-[(4-丙基苯基)氨基]乙酸乙酯
• 英文名称: ethyl 2-[(4-propylphenyl)amino]acetate
• 英文别名: N-(4-propyl-phenyl)-glycine ethyl ester；N-(4-Propyl-phenyl)-glycin-aethylester；Ethyl 2-(4-propylanilino)acetate
• CAS: 100618-41-5
• 化学式: C₁₃H₁₉NO₂
• mdl: MFCD12166157
• 分子量: 221.299
• InChiKey: MZOQLYABWSPPJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[(4-丙基苯基)氨基]乙酸乙酯 在 potassium carbonate 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 33.0h， 生成 methyl 6-[[2,5-dioxo-3-(4-propylphenyl)imidazolidin-1-yl]methyl]-7-methyl-pyrrolo[2,3-d]pyrimidine-2-carboxylate
  参考文献：
  名称：

  Pyrrolopyrimidine-inhibitors with hydantoin moiety as spacer can explore P4/S4 interaction on plasmin

  摘要：

  In the development of plasmin inhibitors, a novel chemotype, pyrrolopyrimidine scaffold possessing two motifs, a hydantoin-containing P4 moiety and a warhead-containing P1 moiety, is uncovered. A unique feature of the new line of the plasmin inhibitors is that the interaction between the plasmin inhibitors and key subsites in plasmin can be controlled by a spacer like hydantoin. The application of the novel chemotype is demonstrated by 1n and provides further evidence on the importance of hydantoin as the spacer. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.02.002
• 作为产物：
  描述：

  对丙基苯胺 、 溴乙酸乙酯 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以46%的产率得到2-[(4-丙基苯基)氨基]乙酸乙酯
  参考文献：
  名称：

  Pyrrolopyrimidine-inhibitors with hydantoin moiety as spacer can explore P4/S4 interaction on plasmin

  摘要：

  In the development of plasmin inhibitors, a novel chemotype, pyrrolopyrimidine scaffold possessing two motifs, a hydantoin-containing P4 moiety and a warhead-containing P1 moiety, is uncovered. A unique feature of the new line of the plasmin inhibitors is that the interaction between the plasmin inhibitors and key subsites in plasmin can be controlled by a spacer like hydantoin. The application of the novel chemotype is demonstrated by 1n and provides further evidence on the importance of hydantoin as the spacer. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.02.002

文献信息

• Pyrrolopyrimidine-inhibitors with hydantoin moiety as spacer can explore P4/S4 interaction on plasmin
  作者：Naoki Teno、Keigo Gohda、Keiko Wanaka、Yuko Tsuda、Takuya Sueda、Yukiko Yamashita、Tadamune Otsubo

  DOI：10.1016/j.bmc.2014.02.002

  日期：2014.4

  In the development of plasmin inhibitors, a novel chemotype, pyrrolopyrimidine scaffold possessing two motifs, a hydantoin-containing P4 moiety and a warhead-containing P1 moiety, is uncovered. A unique feature of the new line of the plasmin inhibitors is that the interaction between the plasmin inhibitors and key subsites in plasmin can be controlled by a spacer like hydantoin. The application of the novel chemotype is demonstrated by 1n and provides further evidence on the importance of hydantoin as the spacer. (c) 2014 Elsevier Ltd. All rights reserved.