Ethyl 7-amino-2-ethylheptanoate | 1027909-79-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Ethyl 7-amino-2-ethylheptanoate
• CAS: 1027909-79-0
• 化学式: C₁₁H₂₃NO₂
• 分子量: 201.309
• InChiKey: VZDLJKXHUDHDCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Ethyl 7-amino-2-ethylheptanoate 在 吡啶 、 4-二甲氨基吡啶 、 TEA 、 硫化氢 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Use of Conformationally Restricted Benzamidines as Arginine Surrogates in the Design of Platelet GPIIb-IIIa Receptor Antagonists

  摘要：

  The use of 5,6-bicyclic amidines as arginine surrogates in the design of a novel class of potent platelet glycoprotein IIb-IIIa receptor (GPIIb-IIIa) antagonists is described. The additional conformational restriction offered by the bicyclic nucleus results in 20-400-fold increases in potency compared to the freely flexible, acyclic benzamidine counterpart. The design, synthesis, structure-activity relationships (SAR), and in vitro activity of this novel class of GPIIb-IIIa antagonists are presented.

  DOI：

  10.1021/jm970020k
• 作为产物：
  描述：

  5-氨基-1-戊醇 在 palladium on activated charcoal 草酰氯 、 potassium tert-butylate 、 氢气 、 一水合肼 、 溶剂黄146 、 二甲基亚砜 、 三乙胺 作用下， 以 乙醇 为溶剂， -78.0~130.0 ℃ 、344.73 kPa 条件下， 反应 18.5h， 生成 Ethyl 7-amino-2-ethylheptanoate
  参考文献：
  名称：

  Use of Conformationally Restricted Benzamidines as Arginine Surrogates in the Design of Platelet GPIIb-IIIa Receptor Antagonists

  摘要：

  The use of 5,6-bicyclic amidines as arginine surrogates in the design of a novel class of potent platelet glycoprotein IIb-IIIa receptor (GPIIb-IIIa) antagonists is described. The additional conformational restriction offered by the bicyclic nucleus results in 20-400-fold increases in potency compared to the freely flexible, acyclic benzamidine counterpart. The design, synthesis, structure-activity relationships (SAR), and in vitro activity of this novel class of GPIIb-IIIa antagonists are presented.

  DOI：

  10.1021/jm970020k

文献信息

• Use of Conformationally Restricted Benzamidines as Arginine Surrogates in the Design of Platelet GPIIb-IIIa Receptor Antagonists
  作者：Daniel J. Sall、Ann E. Arfsten、Jolie A. Bastian、Michael L. Denney、Cathy S. Harms、Jefferson R. McCowan、John M. Morin,、Jack W. Rose、Robert M. Scarborough、Mark S. Smyth、Suzane L. Um、Barbara G. Utterback、Robert T. Vasileff、James H. Wikel、Virginia L. Wyss、Joseph A. Jakubowski

  DOI：10.1021/jm970020k

  日期：1997.8.1

  The use of 5,6-bicyclic amidines as arginine surrogates in the design of a novel class of potent platelet glycoprotein IIb-IIIa receptor (GPIIb-IIIa) antagonists is described. The additional conformational restriction offered by the bicyclic nucleus results in 20-400-fold increases in potency compared to the freely flexible, acyclic benzamidine counterpart. The design, synthesis, structure-activity relationships (SAR), and in vitro activity of this novel class of GPIIb-IIIa antagonists are presented.