2-(1-(2,4-dichloro-5-fluorophenyl)ethylamino)-3-(4-fluorophenyl)-1,6-naphthyridin-5(6H)-one | 1261252-46-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(1-(2,4-dichloro-5-fluorophenyl)ethylamino)-3-(4-fluorophenyl)-1,6-naphthyridin-5(6H)-one
• 英文别名: 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-3-(4-fluorophenyl)-6H-1,6-naphthyridin-5-one
• CAS: 1261252-46-3
• 化学式: C₂₂H₁₅Cl₂F₂N₃O
• 分子量: 446.283
• InChiKey: WBSBRCJNWZWMFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  54
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 四氢呋喃 为溶剂， 生成 2-(1-(2,4-dichloro-5-fluorophenyl)ethylamino)-3-(4-fluorophenyl)-1,6-naphthyridin-5(6H)-one
  参考文献：
  名称：

  The discovery of tricyclic pyridone JAK2 inhibitors. Part 1: Hit to lead

  摘要：

  This paper describes the discovery and design of a novel class of JAK2 inhibitors. Furthermore, we detail the optimization of a screening hit using ligand binding efficiency and log D. These efforts led to the identification of compound 41, which demonstrates in vivo activity in our study. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.031

文献信息

• The discovery of tricyclic pyridone JAK2 inhibitors. Part 1: Hit to lead
  作者：Tony Siu、Ekaterina S. Kozina、Joon Jung、Craig Rosenstein、Anjili Mathur、Michael D. Altman、Grace Chan、Lin Xu、Eric Bachman、Jan-Rung Mo、Melaney Bouthillette、Thomas Rush、Christopher J. Dinsmore、C. Gary Marshall、Jonathan R. Young

  DOI：10.1016/j.bmcl.2010.10.031

  日期：2010.12

  This paper describes the discovery and design of a novel class of JAK2 inhibitors. Furthermore, we detail the optimization of a screening hit using ligand binding efficiency and log D. These efforts led to the identification of compound 41, which demonstrates in vivo activity in our study. (C) 2010 Elsevier Ltd. All rights reserved.