2-(2-Amino-5-morpholin-4-yl-phenyl)-4-phenyl-2H-phthalazin-1-one | 676562-73-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 2-(2-Amino-5-morpholin-4-yl-phenyl)-4-phenyl-2H-phthalazin-1-one
• 英文别名: 2-(2-Amino-5-morpholin-4-ylphenyl)-4-phenylphthalazin-1-one
• CAS: 676562-73-5
• 化学式: C₂₄H₂₂N₄O₂
• 分子量: 398.464
• InChiKey: ZPBXVQWYFCLZIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  71.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(2-Amino-5-morpholin-4-yl-phenyl)-4-phenyl-2H-phthalazin-1-one 在 PPA 作用下， 以50%的产率得到9-morpholino-5-phenylbenzo[4,5]imidazo[2,1-a]phthalazine
  参考文献：
  名称：

  Synthesis of benzo[4,5]imidazo[2,1- a ]phthalazines

  摘要：

  5,9-Disubstituted benzo[4,5]imidazo[2,1-a]phthalazines are synthesized efficiently from acylbenzoic acids and 2-nitro-5-chlorophenylhydrazine. Nucleophilic substitution in phthalazinones gave a variety of the title compounds after reduction and cyclization. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.12.070
• 作为产物：
  描述：

  2-硝基-5-氯苯基肼 在 镍 硫酸 、 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 2-(2-Amino-5-morpholin-4-yl-phenyl)-4-phenyl-2H-phthalazin-1-one
  参考文献：
  名称：

  Synthesis of benzo[4,5]imidazo[2,1- a ]phthalazines

  摘要：

  5,9-Disubstituted benzo[4,5]imidazo[2,1-a]phthalazines are synthesized efficiently from acylbenzoic acids and 2-nitro-5-chlorophenylhydrazine. Nucleophilic substitution in phthalazinones gave a variety of the title compounds after reduction and cyclization. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.12.070

文献信息

• HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF
  申请人：Japan Tobacco, Inc.

  公开号：EP1953147A1

  公开（公告）日：2008-08-06

  The present invention aims at providing a novel heterocyclic compound having HCV entry inhibitory activity and the pharmaceutical use thereof. The present invention provides a therapeutic agent for hepatitis C comprising a heterocyclic compound represented by the following formula [1] or a pharmaceutically acceptable salt thereof as an active ingredient: wherein Q1 is -N=, etc., Q2 is -N-, etc., Q3 is -N=, etc., Q4 is -N-, etc., Q5 is -N-, etc., R1 is a hydrogen atom, etc., R2 is a hydrogen atom, etc., ring A is a monocyclic aryl group optionally having substituent(s), etc., and ring B is a monocyclic aryl group optionally having substituent(s), etc.

  本发明旨在提供一种具有HCV进入抑制活性的新型杂环化合物及其药物用途。本发明提供了一种治疗丙型肝炎的治疗剂，其包括以下式[1]所表示的杂环化合物或其药学上可接受的盐作为活性成分：其中Q1为-N=等，Q2为-N-等，Q3为-N=等，Q4为-N-等，Q5为-N-等，R1为氢原子等，R2为氢原子等，环A为单环芳基，可选地具有取代基等，环B为单环芳基，可选地具有取代基等。
• Synthesis of benzo[4,5]imidazo[2,1- a ]phthalazines
  作者：Kirill M. Shubin、Viktor A. Kuznetsov、Vladimir A. Galishev

  DOI：10.1016/j.tetlet.2003.12.070

  日期：2004.2

  5,9-Disubstituted benzo[4,5]imidazo[2,1-a]phthalazines are synthesized efficiently from acylbenzoic acids and 2-nitro-5-chlorophenylhydrazine. Nucleophilic substitution in phthalazinones gave a variety of the title compounds after reduction and cyclization. (C) 2003 Elsevier Ltd. All rights reserved.