| 1228078-88-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• CAS: 1228078-88-3
• 化学式: C₂₇H₃₃N₅O₃
• 分子量: 475.591
• InChiKey: QBIUPYHGHROMHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.87
• 重原子数：
  35.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  76.67
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 tin(II) chloride monohydrate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and evaluation of alkenyl indazoles as selective Aurora kinase inhibitors

  摘要：

  A series of alkenyl indazoles were synthesized and evaluated in Aurora kinase enzyme assays. Several promising leads were optimized for selectivity towards Aurora B. Excellent binding affinity and good selectivity were achieved with optimized compounds in isolated Aurora subfamily assays. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.018
• 作为产物：
  描述：

  N-甲基哌嗪 、 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 以71%的产率得到
  参考文献：
  名称：

  Synthesis and evaluation of alkenyl indazoles as selective Aurora kinase inhibitors

  摘要：

  A series of alkenyl indazoles were synthesized and evaluated in Aurora kinase enzyme assays. Several promising leads were optimized for selectivity towards Aurora B. Excellent binding affinity and good selectivity were achieved with optimized compounds in isolated Aurora subfamily assays. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.018