(8S)-N-{[5-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)imidazo[1,2-a]pyridin-2-yl]methyl}-N-methyi-5,6,7,8-tetrahydro-8-quinolinamine | 878198-18-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (8S)-N-{[5-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)imidazo[1,2-a]pyridin-2-yl]methyl}-N-methyi-5,6,7,8-tetrahydro-8-quinolinamine
• 英文别名: (8S)-N-{[5-(Hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)imidazo[1,2-a]pyridin-2-yl]methyl}-N-methyl-5,6,7,8-tetrahydro-8-quinolinamine；(8S)-N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
• CAS: 878198-18-6
• 化学式: C₂₅H₃₂N₆
• 分子量: 416.569
• InChiKey: RZBMNHLGYITPKH-KEKNWZKVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (8S)-N-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-5,6,7,8-tetrahydro-8-quinolinamine 、 1,4-二氮杂双环[4.3.0]壬烷 反应 72.0h， 生成 (8S)-N-{[5-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)imidazo[1,2-a]pyridin-2-yl]methyl}-N-methyi-5,6,7,8-tetrahydro-8-quinolinamine
  参考文献：
  名称：

  Imidazopyridine-5,6,7,8-tetrahydro-8-quinolinamine derivatives with potent activity against HIV-1

  摘要：

  Synthesis of several novel imidazopyridine-5,6,7,8-tetrahydro-8-quinolinamine derivatives with potent activity against HIV are described. Synthetic approaches allowing for variation of the substitution pattern are outlined and resulting changes in antiviral activity and pharmacokinetics are highlighted. Several compounds with low nanomolar anti-HIV activity and oral bioavailability are described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.056

文献信息

• Chemical Compounds
  申请人：Gudmundsson Kristian

  公开号：US20070232615A1

  公开（公告）日：2007-10-04

  The present invention provides novel compounds that demonstrate protective effects on target cells from HIV infection in a manner as to bind to a chemokine receptor, and which affect the binding of the natural ligand or chemokine to a receptor such as CXCR4 of a target cell.

  本发明提供了一种新型化合物，它们以一种与趋化因子受体结合的方式对目标细胞表现出对HIV感染的保护作用，并影响天然配体或趋化因子与目标细胞的CXCR4等受体的结合。
• CHEMICAL COMPOUNDS
  申请人：GUDMUNDSSON Kristjan

  公开号：US20070254910A1

  公开（公告）日：2007-11-01

  The present invention provides novel compounds that demonstrate protective effects on target cells from HIV infection in a manner as to bind to a chemokine receptor, and which affect the binding of the natural ligand or chemokine to a receptor such as CXCR4 of a target cell.

  本发明提供了一种新型化合物，它们以一种与趋化因子受体结合的方式对靶细胞表现出对HIV感染的保护作用，并影响自然配体或趋化因子与靶细胞的CXCR4等受体的结合。
• Imidazopyridine-5,6,7,8-tetrahydro-8-quinolinamine derivatives with potent activity against HIV-1
  作者：Kristjan S. Gudmundsson、Sharon D. Boggs、John G. Catalano、Angilique Svolto、Andrew Spaltenstein、Michael Thomson、Pat Wheelan、Stephen Jenkinson

  DOI：10.1016/j.bmcl.2009.09.056

  日期：2009.11

  Synthesis of several novel imidazopyridine-5,6,7,8-tetrahydro-8-quinolinamine derivatives with potent activity against HIV are described. Synthetic approaches allowing for variation of the substitution pattern are outlined and resulting changes in antiviral activity and pharmacokinetics are highlighted. Several compounds with low nanomolar anti-HIV activity and oral bioavailability are described. (C) 2009 Elsevier Ltd. All rights reserved.