3-[[2-(3,4-Dihydro-1H-isoquinolin-2-yl)quinolin-4-yl]amino]propane-1,2-diol

• 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-[[2-(3,4-Dihydro-1H-isoquinolin-2-yl)quinolin-4-yl]amino]propane-1,2-diol
• 英文别名: 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-quinolyl]amino]propane-1,2-diol；(RS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-quinolin-4-ylamino]-propane-1,2-diol
• 化学式: C₂₁H₂₃N₃O₂
• 分子量: 349.433
• InChiKey: GGOIZDJNKGSNQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  68.6
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,4-二氯喹啉 以 甲苯 为溶剂， 生成 3-[[2-(3,4-Dihydro-1H-isoquinolin-2-yl)quinolin-4-yl]amino]propane-1,2-diol
  参考文献：
  名称：

  4-Aminoquinolines as a novel class of NR1/2B subtype selective NMDA receptor antagonists

  摘要：

  Screening of the Roche compound library led to the identification of 4-aminoquinoline 4 as structurally novel NR1/2B subtype selective NMDA receptor antagonist. The SAR which was developed in this series resulted in the discovery of highly potent and in vivo active blockers. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00470-5

文献信息

• Quinolin-4-yl derivatives
  申请人：Hoffman-La Roche Inc.

  公开号：US06440995B1

  公开（公告）日：2002-08-27

  Phenyl substituted quinolin 4-yl derivatives and pharmaceutical compositions with activity as NMDA-receptor subtype selective blockers. The compounds of the invention modulate neuronal activity and plasticity.

  苯基取代的喹啉4-基衍生物和具有NMDA受体亚型选择性阻滞剂活性的制药组合物。本发明的化合物调节神经元活动和可塑性。
• US6440995B1
  申请人：——

  公开号：US6440995B1

  公开（公告）日：2002-08-27
• 4-Aminoquinolines as a novel class of NR1/2B subtype selective NMDA receptor antagonists
  作者：Emmanuel Pinard、Alexander Alanine、Anne Bourson、Bernd Büttelmann、Marie-Paule Heitz、Vincent Mutel,a Ramanjit Gill、Gerhard Trube、René Wyler

  DOI：10.1016/s0960-894x(02)00470-5

  日期：2002.9

  Screening of the Roche compound library led to the identification of 4-aminoquinoline 4 as structurally novel NR1/2B subtype selective NMDA receptor antagonist. The SAR which was developed in this series resulted in the discovery of highly potent and in vivo active blockers. (C) 2002 Elsevier Science Ltd. All rights reserved.