3-[3-(2-Ethoxycarbonyl-ethyl)-5-(2-methoxy-benzyl)-phenyl]-propionic acid | 161778-32-1

• 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-[3-(2-Ethoxycarbonyl-ethyl)-5-(2-methoxy-benzyl)-phenyl]-propionic acid
• 英文别名: 3-[3-(3-Ethoxy-3-oxopropyl)-5-[(2-methoxyphenyl)methyl]phenyl]propanoic acid
• CAS: 161778-32-1
• 化学式: C₂₂H₂₆O₅
• 分子量: 370.445
• InChiKey: QOQDHBNYLMOALT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  27
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-[3-(2-Ethoxycarbonyl-ethyl)-5-(2-methoxy-benzyl)-phenyl]-propionic acid 在 ammonium hydroxide 、 草酰氯 作用下， 生成 3-[3-(2-Carbamoyl-ethyl)-5-(2-methoxy-benzyl)-phenyl]-propionic acid ethyl ester
  参考文献：
  名称：

  Thromboxane modulating agents. 4. Design and synthesis of 3-(2-[{(4-chlorophenyl)sulfonyl}amino]ethyl)benzenepropanoic acid derivatives as potent thromboxane receptor antagonists

  摘要：

  The design of a series of thromboxane receptor antagonists based on 3-(2-[{(4-chlorophenyl)sulfonyl}amino]ethyl)benzenepropanoic acid (1) is described. Addition of an arylmethyl group at the 5-position of 1 gave exceptionally potent agents in vitro and in vivo, with 13a (UK-147,535) giving complete blockade of the TxA(2) receptor for greater than 12 hours in dogs, following all oral dose of 0.1 mg/kg. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00242-x
• 作为产物：
  描述：

  1,3,5-三溴苯 在 palladium on activated charcoal 吡啶 、 4-二甲氨基吡啶 、 palladium diacetate 、 sodium hydroxide 、 正丁基锂 、 氢气 、 三乙胺 、 三(邻甲基苯基)磷 作用下， 以 乙醇 、 乙酸乙酯 、 乙腈 为溶剂， 生成 3-[3-(2-Ethoxycarbonyl-ethyl)-5-(2-methoxy-benzyl)-phenyl]-propionic acid
  参考文献：
  名称：

  Thromboxane modulating agents. 4. Design and synthesis of 3-(2-[{(4-chlorophenyl)sulfonyl}amino]ethyl)benzenepropanoic acid derivatives as potent thromboxane receptor antagonists

  摘要：

  The design of a series of thromboxane receptor antagonists based on 3-(2-[{(4-chlorophenyl)sulfonyl}amino]ethyl)benzenepropanoic acid (1) is described. Addition of an arylmethyl group at the 5-position of 1 gave exceptionally potent agents in vitro and in vivo, with 13a (UK-147,535) giving complete blockade of the TxA(2) receptor for greater than 12 hours in dogs, following all oral dose of 0.1 mg/kg. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00242-x

文献信息

• Thromboxane modulating agents. 4. Design and synthesis of 3-(2-[{(4-chlorophenyl)sulfonyl}amino]ethyl)benzenepropanoic acid derivatives as potent thromboxane receptor antagonists
  作者：Kevin N. Dack、Roger P. Dickinson、Clive J. Long、John Steele

  DOI：10.1016/s0960-894x(98)00242-x

  日期：1998.8

  The design of a series of thromboxane receptor antagonists based on 3-(2-[(4-chlorophenyl)sulfonyl}amino]ethyl)benzenepropanoic acid (1) is described. Addition of an arylmethyl group at the 5-position of 1 gave exceptionally potent agents in vitro and in vivo, with 13a (UK-147,535) giving complete blockade of the TxA(2) receptor for greater than 12 hours in dogs, following all oral dose of 0.1 mg/kg. (C) 1998 Elsevier Science Ltd. All rights reserved.