[2-chloro-4-[[2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone | 1338249-10-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2-chloro-4-[[2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
• CAS: 1338249-10-7
• 化学式: C₂₂H₂₃ClN₈O
• 分子量: 450.931
• InChiKey: IEXQSGDXTBGHJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-氨基-2-氯苯甲酸 在 盐酸 、 sodium hydride 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成 [2-chloro-4-[[2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
  参考文献：
  名称：

  Discovery of novel imidazo[1,2-a]pyrazin-8-amines as Brk/PTK6 inhibitors

  摘要：

  A series of substituted imidazo[1,2-a]pyrazin-8-amines were discovered as novel breast tumor kinase (Brk)/protein tyrosine kinase 6 (PTK6) inhibitors. Tool compounds with low-nanomolar Brk inhibition activity, high selectivity towards other kinases and desirable DMPK properties were achieved to enable the exploration of Brk as an oncology target. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.101

文献信息

• Discovery of novel imidazo[1,2-a]pyrazin-8-amines as Brk/PTK6 inhibitors
  作者：Hongbo Zeng、David B. Belanger、Patrick J. Curran、Gerald W. Shipps、Hua Miao、Jack B. Bracken、M. Arshad Siddiqui、Michael Malkowski、Yan Wang

  DOI：10.1016/j.bmcl.2011.07.101

  日期：2011.10

  A series of substituted imidazo[1,2-a]pyrazin-8-amines were discovered as novel breast tumor kinase (Brk)/protein tyrosine kinase 6 (PTK6) inhibitors. Tool compounds with low-nanomolar Brk inhibition activity, high selectivity towards other kinases and desirable DMPK properties were achieved to enable the exploration of Brk as an oncology target. (C) 2011 Elsevier Ltd. All rights reserved.