3-(3-acetamido-1H-indazol-6-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide | 1388227-15-3

• 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: 3-(3-acetamido-1H-indazol-6-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
• CAS: 1388227-15-3
• 化学式: C₃₀H₃₁F₃N₆O₂
• 分子量: 564.61
• InChiKey: BCXLDFKFEHFPNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  93.4
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-[4-(4-ethyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-3-iodo-benzamide 、 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 3-(3-acetamido-1H-indazol-6-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
  参考文献：
  名称：

  An amino-indazole scaffold with spectrum selective kinase inhibition of FLT3, PDGFRα and kit

  摘要：

  Here we describe the synthesis and characterization of a number of 3-amino-1H-indazol-6-yl-benzamides that were designed to target the 'DFG-out' conformation of the kinase activation loop. Several compounds such as 4 and 11 exhibit single-digit nanomolar EC(50)s against FLT3, c-Kit and the gatekeeper T674M mutant of PDGFR alpha. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.05.107

文献信息

• An amino-indazole scaffold with spectrum selective kinase inhibition of FLT3, PDGFRα and kit
  作者：Xianming Deng、Wenjun Zhou、Ellen Weisberg、Jinhua Wang、Jianming Zhang、Takaaki Sasaki、Erik Nelson、James D. Griffin、Pasi A. Jänne、Nathanael S. Gray

  DOI：10.1016/j.bmcl.2012.05.107

  日期：2012.7

  Here we describe the synthesis and characterization of a number of 3-amino-1H-indazol-6-yl-benzamides that were designed to target the 'DFG-out' conformation of the kinase activation loop. Several compounds such as 4 and 11 exhibit single-digit nanomolar EC(50)s against FLT3, c-Kit and the gatekeeper T674M mutant of PDGFR alpha. (C) 2012 Published by Elsevier Ltd.