| 1253107-63-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1253107-63-9
• 化学式: C₃₀H₃₄ClN₉O
• 分子量: 572.113
• InChiKey: HYCYVMNKZFALHN-MEMLXQNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.65
• 重原子数：
  41.0
• 可旋转键数：
  5.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  114.16
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  、 3-Iodo-1-[4-(4-methyl-piperazin-1-yl)-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine 在 四(三苯基膦)钯 、 cesium fluoride 作用下， 以 甲醇 、 乙二醇二甲醚 为溶剂， 生成
  参考文献：
  名称：

  Substituted 4-amino-1H-pyrazolo[3,4-d]pyrimidines as multi-targeted inhibitors of insulin-like growth factor-1 receptor (IGF1R) and members of ErbB-family receptor kinases

  摘要：

  This Letter describes the lead discovery, optimization, and biological characterization of a series of substituted 4-amino-1H-pyrazolo[3,4-d]pyrimidines as potent inhibitors of IGF1R, EGFR, and ErbB2. The leading compound 11 showed an IGF1R IC50 of 12 nM, an EGFR (L858R) IC50 of 31 nM, and an ErbB2 IC50 of 11 nM, potent activity in cellular functional and anti-proliferation assays, as well as activity in an in vivo pharmacodynamic assay. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.052

文献信息

• Substituted 4-amino-1H-pyrazolo[3,4-d]pyrimidines as multi-targeted inhibitors of insulin-like growth factor-1 receptor (IGF1R) and members of ErbB-family receptor kinases
  作者：Gary T. Wang、Robert A. Mantei、Robert D. Hubbard、Julie L. Wilsbacher、Qian Zhang、Lora Tucker、Xiaoming Hu、Peter Kovar、Eric F. Johnson、Donald J. Osterling、Jennifer Bouska、Jieyi Wang、Steven K. Davidsen、Randy L. Bell、George S. Sheppard

  DOI：10.1016/j.bmcl.2010.08.052

  日期：2010.10

  This Letter describes the lead discovery, optimization, and biological characterization of a series of substituted 4-amino-1H-pyrazolo[3,4-d]pyrimidines as potent inhibitors of IGF1R, EGFR, and ErbB2. The leading compound 11 showed an IGF1R IC50 of 12 nM, an EGFR (L858R) IC50 of 31 nM, and an ErbB2 IC50 of 11 nM, potent activity in cellular functional and anti-proliferation assays, as well as activity in an in vivo pharmacodynamic assay. (C) 2010 Elsevier Ltd. All rights reserved.