N-(5-tert-butyl-2-methylpyrazol-3-yl)-2-chloropyrimidin-4-amine | 1017687-72-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-(5-tert-butyl-2-methylpyrazol-3-yl)-2-chloropyrimidin-4-amine
• CAS: 1017687-72-7
• 化学式: C₁₂H₁₆ClN₅
• 分子量: 265.746
• InChiKey: WVJWVQIJTNRMSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-甲氧基苯基)-2,2-二甲基哌嗪 、 N-(5-tert-butyl-2-methylpyrazol-3-yl)-2-chloropyrimidin-4-amine 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-methylpyrazol-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
• 作为产物：
  描述：

  2,4-二氯嘧啶 、 5-氨基-3-叔丁基-1-甲基吡唑 在 N,N-二异丙基乙胺 作用下， 以 乙醇 为溶剂， 生成 N-(5-tert-butyl-2-methylpyrazol-3-yl)-2-chloropyrimidin-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.