2-Cyclopropyl-1-phenylethanamine hydrochloride | 1204595-17-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-Cyclopropyl-1-phenylethanamine hydrochloride
• 英文别名: 2-cyclopropyl-1-phenylethanamine;hydrochloride
• CAS: 1204595-17-4
• 化学式: C₁₁H₁₅N*ClH
• 分子量: 197.708
• InChiKey: HSZIVFVIDUOYDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.91
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  26
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(3-ethoxy-3-oxopropyl)-5-(phenoxymethyl)benzoicacid 、 2-Cyclopropyl-1-phenylethanamine hydrochloride 在 N-甲基吗啉 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  3-(2-Aminocarbonylphenyl)propanoic acid analogs as potent and selective EP3 receptor antagonists. Part 1: Discovery and exploration of the carboxyamide side chain

  摘要：

  A series of 3-(2-aminocarbonyl-4-phenoxymethylphenyl) propanoic acid analogs were synthesized and evaluated for their EP3 antagonist activity in the presence of additive serum albumin. Several compounds were biologically evaluated for their in vivo efficacy with respect to the PGE(2)-induced uterine contraction in pregnant rats as well as their pharmacokinetics. The discovery process of these potent and selective EP3 antagonists and their structure activity relationship are also presented. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.11.023