5-(4-Carbamimidoyl-phenoxy)-pentanoic acid ethyl ester | 758657-19-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(4-Carbamimidoyl-phenoxy)-pentanoic acid ethyl ester
• 英文别名: Ethyl 5-(4-carbamimidoylphenoxy)pentanoate
• CAS: 758657-19-1
• 化学式: C₁₄H₂₀N₂O₃
• 分子量: 264.324
• InChiKey: AGTXVQFERMXAHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  85.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(4-Carbamimidoyl-phenoxy)-pentanoic acid ethyl ester 在 盐酸 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 2.5h， 生成 5-[4-(Benzyloxycarbonylamino-imino-methyl)-phenoxy]-pentanoic acid
  参考文献：
  名称：

  Design, synthesis, and evaluation of fibrinogen inhibitors, ω-(p-amidinophenoxy) alkanoylaspartic acid derivatives

  摘要：

  Low molecular weight inhibitors of platelet aggregation are described. Compounds studied in this work were derived from the presumed active conformation of the adhesion tripeptide, ArgGlyAsp, using computer simulations. These studies led to the synthesis of a potent anti-platelet agent, 4-(4-amidinophenoxy)-butanoylaspartylvaline (6, FK633). Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00246-6
• 作为产物：
  描述：

  5-(4-氰基苯氧基)戊酸乙酯 在 盐酸 、 氨 作用下， 以 乙醇 为溶剂， 反应 2.5h， 生成 5-(4-Carbamimidoyl-phenoxy)-pentanoic acid ethyl ester
  参考文献：
  名称：

  Design, synthesis, and evaluation of fibrinogen inhibitors, ω-(p-amidinophenoxy) alkanoylaspartic acid derivatives

  摘要：

  Low molecular weight inhibitors of platelet aggregation are described. Compounds studied in this work were derived from the presumed active conformation of the adhesion tripeptide, ArgGlyAsp, using computer simulations. These studies led to the synthesis of a potent anti-platelet agent, 4-(4-amidinophenoxy)-butanoylaspartylvaline (6, FK633). Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00246-6

文献信息

• Design, synthesis, and evaluation of fibrinogen inhibitors, ω-(p-amidinophenoxy) alkanoylaspartic acid derivatives
  作者：Akito Tanaka、Hiroyoshi Sakai、Takatoshi Ishikawa、Isao Nakanishi、Mitsuru Ohkubo、Toshiaki Aoki、Yukio Motoyama、Hisashi Takasugi

  DOI：10.1016/s0960-894x(96)00246-6

  日期：1996.7

  Low molecular weight inhibitors of platelet aggregation are described. Compounds studied in this work were derived from the presumed active conformation of the adhesion tripeptide, ArgGlyAsp, using computer simulations. These studies led to the synthesis of a potent anti-platelet agent, 4-(4-amidinophenoxy)-butanoylaspartylvaline (6, FK633). Copyright (C) 1996 Elsevier Science Ltd