6-Chloro-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine | 1094452-75-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并哒嗪类
• 英文名称: 6-Chloro-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
• CAS: 1094452-75-1
• 化学式: C₉H₅ClN₆
• 分子量: 232.632
• InChiKey: NGNYAMTYYCHQLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  生成 6-Chloro-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
  参考文献：
  名称：

  Kinase domain inhibition of leucine rich repeat kinase 2 (LRRK2) using a [1,2,4]triazolo[4,3-b]pyridazine scaffold

  摘要：

  Leucine rich repeat kinase 2 (LRRK2) has been genetically linked to Parkinson's disease (PD). The most common mutant, G2019S, increases kinase activity, thus LRRK2 kinase inhibitors are potentially useful in the treatment of PD. We herein disclose the structure, potential ligand-protein binding interactions, and pharmacological profiling of potent and highly selective kinase inhibitors based on a triazolopyridazine chemical scaffold. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.07.052

文献信息

• Kinase domain inhibition of leucine rich repeat kinase 2 (LRRK2) using a [1,2,4]triazolo[4,3-b]pyridazine scaffold
  作者：Paul Galatsis、Jaclyn L. Henderson、Bethany L. Kormos、Seungil Han、Ravi G. Kurumbail、Travis T. Wager、Patrick R. Verhoest、G. Stephen Noell、Yi Chen、Elie Needle、Zdenek Berger、Stefanus J. Steyn、Christopher Houle、Warren D. Hirst

  DOI：10.1016/j.bmcl.2014.07.052

  日期：2014.9

  Leucine rich repeat kinase 2 (LRRK2) has been genetically linked to Parkinson's disease (PD). The most common mutant, G2019S, increases kinase activity, thus LRRK2 kinase inhibitors are potentially useful in the treatment of PD. We herein disclose the structure, potential ligand-protein binding interactions, and pharmacological profiling of potent and highly selective kinase inhibitors based on a triazolopyridazine chemical scaffold. (C) 2014 Elsevier Ltd. All rights reserved.