5-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2H-isoquinolin-1-one | 1350612-73-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 5-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2H-isoquinolin-1-one
• CAS: 1350612-73-5
• 化学式: C₁₅H₁₀ClN₅O
• 分子量: 311.73
• InChiKey: YACKYDRIJHKBCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  72.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  四氢吡咯 、 5-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2H-isoquinolin-1-one 反应 2.0h， 生成 5-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2H-isoquinolin-1-one
  参考文献：
  名称：

  Design and synthesis of triazolopyridazines substituted with methylisoquinolinone as selective c-Met kinase inhibitors

  摘要：

  A series of triazolopyridazines substituted with methylisoquinolinone were designed and synthesized. Some of the triazolopyridazines strongly inhibited c-Met kinase and showed good anti-proliferative activity against a panel of c-Met-amplified gastric cancer cell lines (MKN-45, SNU-5 and Hs746T). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.066
• 作为产物：
  描述：

  邻溴苯乙酸 在 sodium azide 、 三正丁胺 、 palladium diacetate 、 对甲苯磺酸 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 三(邻甲基苯基)磷 、 三氟乙酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二苯醚 、 二氯甲烷 、 水 、 丙酮 为溶剂， 反应 30.0h， 生成 5-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2H-isoquinolin-1-one
  参考文献：
  名称：

  Design and synthesis of triazolopyridazines substituted with methylisoquinolinone as selective c-Met kinase inhibitors

  摘要：

  A series of triazolopyridazines substituted with methylisoquinolinone were designed and synthesized. Some of the triazolopyridazines strongly inhibited c-Met kinase and showed good anti-proliferative activity against a panel of c-Met-amplified gastric cancer cell lines (MKN-45, SNU-5 and Hs746T). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.066

文献信息

• Design and synthesis of triazolopyridazines substituted with methylisoquinolinone as selective c-Met kinase inhibitors
  作者：Jae Wook Ryu、Sun-Young Han、Jeong In Yun、Sang-Un Choi、Heejung Jung、Jae Du Ha、Sung Yun Cho、Chong Ock Lee、Nam Sook Kang、Jong Sung Koh、Hyoung Rae Kim、Jongkook Lee

  DOI：10.1016/j.bmcl.2011.09.066

  日期：2011.12

  A series of triazolopyridazines substituted with methylisoquinolinone were designed and synthesized. Some of the triazolopyridazines strongly inhibited c-Met kinase and showed good anti-proliferative activity against a panel of c-Met-amplified gastric cancer cell lines (MKN-45, SNU-5 and Hs746T). (C) 2011 Elsevier Ltd. All rights reserved.