N-[6-methyl-3-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide | 1228078-80-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: N-[6-methyl-3-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
• CAS: 1228078-80-5
• 化学式: C₂₈H₃₁N₅OS
• 分子量: 485.653
• InChiKey: JNCRJZQZLMYLLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  92.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-(6-methyl-3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 以69%的产率得到N-[6-methyl-3-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
  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

文献信息

• Synthesis and evaluation of alkenyl indazoles as selective Aurora kinase inhibitors
  作者：Stéphanie Blanchard、Anthony D. William、Angeline C.-H. Lee、Anders Poulsen、Ee Ling Teo、Weiping Deng、Noah Tu、Evelyn Tan、Kay Lin Goh、Wai Chung Ong、Chee Pang Ng、Kee Chuan Goh、Zahid Bonday、Eric T. Sun

  DOI：10.1016/j.bmcl.2010.03.018

  日期：2010.4

  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.