6-(3-amino-1-(3-(2-oxoindolin-6-yl)phenyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one | 1215007-01-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6-(3-amino-1-(3-(2-oxoindolin-6-yl)phenyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one
• 英文别名: 6-[3-amino-1-[3-(2-oxo-1,3-dihydroindol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
• CAS: 1215007-01-4
• 化学式: C₂₆H₂₁N₅O₂
• 分子量: 435.485
• InChiKey: RLDMHCIIQHSPMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  102
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,4-二氢-6-(4,4,5,5-四甲基-1,3,2-二噁硼烷)-1(2h)-异喹啉酮 、 在 bis-triphenylphosphine-palladium(II) chloride 、 sodium carbonate 作用下， 以 丙醇 、 水 为溶剂， 反应 16.0h， 生成 6-(3-amino-1-(3-(2-oxoindolin-6-yl)phenyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one
  参考文献：
  名称：

  Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy

  摘要：

  New, selective 3-aminopyrazole based MK2-inhibitors were discovered by scaffold hopping strategy. The new derivatives proved to inhibit intracellular phosphorylation of hsp27 as well as LPS-induced TNF alpha release in cells. In addition, selected derivative 14e also inhibited LPS-induced TNF alpha release in vivo. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.138

文献信息

• Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy
  作者：Juraj Velcicky、Roland Feifel、Stuart Hawtin、Richard Heng、Christine Huppertz、Guido Koch、Markus Kroemer、Henrik Moebitz、Laszlo Revesz、Clemens Scheufler、Achim Schlapbach

  DOI：10.1016/j.bmcl.2009.10.138

  日期：2010.2

  New, selective 3-aminopyrazole based MK2-inhibitors were discovered by scaffold hopping strategy. The new derivatives proved to inhibit intracellular phosphorylation of hsp27 as well as LPS-induced TNF alpha release in cells. In addition, selected derivative 14e also inhibited LPS-induced TNF alpha release in vivo. (C) 2009 Elsevier Ltd. All rights reserved.