N-[5-tert-butyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine | 1218996-17-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-[5-tert-butyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine
• CAS: 1218996-17-8
• 化学式: C₂₆H₃₄F₃N₇O
• 分子量: 517.597
• InChiKey: KRYUJWXMBZORSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  71.3
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1-(4-甲氧基苯基)-2,2-二甲基哌嗪 、 在 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 生成 N-[5-tert-butyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine
  参考文献：
  名称：

  Piperazinyl pyrimidine derivatives as potent γ-secretase modulators

  摘要：

  The development of a novel series of piperazinyl pyrimidines as gamma-secretase modulators for potential use in the treatment of Alzheimer's disease is disclosed herein. Optimization of a screening hit provided a series of potent gamma-secretase modulators with > 180-fold in vitro selectivity over inhibition of Notch cleavage. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.101

文献信息

• Piperazinyl pyrimidine derivatives as potent γ-secretase modulators
  作者：Alexey Rivkin、Sean P. Ahearn、Stephanie M. Chichetti、Yoona R. Kim、Chaomin Li、Andrew Rosenau、Sam D. Kattar、Joon Jung、Sanjiv Shah、Bethany L. Hughes、Jamie L. Crispino、Richard E. Middleton、Alexander A. Szewczak、Benito Munoz、Mark S. Shearman

  DOI：10.1016/j.bmcl.2009.11.101

  日期：2010.2

  The development of a novel series of piperazinyl pyrimidines as gamma-secretase modulators for potential use in the treatment of Alzheimer's disease is disclosed herein. Optimization of a screening hit provided a series of potent gamma-secretase modulators with > 180-fold in vitro selectivity over inhibition of Notch cleavage. (C) 2009 Elsevier Ltd. All rights reserved.