3-[3-[1-(2-fluoropyridin-4-yl)pyrrolidin-3-yl]anilino]-4-(1H-indol-3-yl)pyrrole-2,5-dione | 1567435-48-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 3-[3-[1-(2-fluoropyridin-4-yl)pyrrolidin-3-yl]anilino]-4-(1H-indol-3-yl)pyrrole-2,5-dione
• CAS: 1567435-48-6
• 化学式: C₂₇H₂₂FN₅O₂
• 分子量: 467.502
• InChiKey: XJVHQVSZWYUGJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  90.1
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-吲哚乙酰胺 在 溶剂黄146 、 potassium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 3-[3-[1-(2-fluoropyridin-4-yl)pyrrolidin-3-yl]anilino]-4-(1H-indol-3-yl)pyrrole-2,5-dione
  参考文献：
  名称：

  Anilino-monoindolylmaleimides as potent and selective JAK3 inhibitors

  摘要：

  We designed a series of anilino-indoylmaleimides based on structural elements from literature JAK3 inhibitors 3 and 4, and our lead 5. These new compounds were tested as inhibitors of JAKs 1, 2 and 3 and TYK2 for therapeutic intervention in rheumatoid arthritis (RA). Our requirements, based on current scientific rationale for optimum efficacy against RA with reduced side effects, was for potent, mixed JAK1 and 3 inhibition, and selectivity over JAK2. Our efforts yielded a potent JAK3 inhibitor 11d and its eutomer 11e. These compounds were highly selective for inhibition of JAK3 over JAK2 and TYK. The compounds displayed only modest JAK1 inhibition. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.001