N-(5-tert-butyl-2-methylphenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-7-(2,2,2-trifluoroethyl)purin-6-amine | 1227046-86-7

• 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-methylphenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-7-(2,2,2-trifluoroethyl)purin-6-amine
• CAS: 1227046-86-7
• 化学式: C₃₁H₃₈F₃N₇O
• 分子量: 581.684
• InChiKey: UGKVXSQMXRJZNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 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 、 N-(5-(tert-butyl)-2-methylphenyl)-2-chloro-7-(2,2,2-trifluoroethyl)-7H-purin-6-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-methylphenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-7-(2,2,2-trifluoroethyl)purin-6-amine
  参考文献：
  名称：

  Purine derivatives as potent γ-secretase modulators

  摘要：

  The development of a novel series of purines as gamma-secretase modulators for potential use in the treatment of Alzheimer's disease is disclosed herein. Optimization of a previously disclosed pyrimidine series afforded a series of potent purine-based gamma-secretase modulators with 300- to 2000-fold in vitro selectivity over inhibition of Notch cleavage and that selectively reduces A beta 42 in an APP-YAC transgenic mouse model. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.008

文献信息

• Purine derivatives as potent γ-secretase modulators
  作者：Alexey Rivkin、Sean P. Ahearn、Stephanie M. Chichetti、Christopher L. Hamblett、Yudith Garcia、Michelle Martinez、Jed L. Hubbs、Michael H. Reutershan、Matthew H. Daniels、Phieng Siliphaivanh、Karin M. Otte、Chaomin Li、Andrew Rosenau、Laura M. Surdi、Joon Jung、Bethany L. Hughes、Jamie L. Crispino、George N. Nikov、Richard E. Middleton、Christopher M. Moxham、Alexander A. Szewczak、Sanjiv Shah、Lily Y. Moy、Candia M. Kenific、Flobert Tanga、Jonathan C. Cruz、Paula Andrade、Minilik H. Angagaw、Nirah H. Shomer、Thomas Miller、Benito Munoz、Mark S. Shearman

  DOI：10.1016/j.bmcl.2010.02.008

  日期：2010.4

  The development of a novel series of purines as gamma-secretase modulators for potential use in the treatment of Alzheimer's disease is disclosed herein. Optimization of a previously disclosed pyrimidine series afforded a series of potent purine-based gamma-secretase modulators with 300- to 2000-fold in vitro selectivity over inhibition of Notch cleavage and that selectively reduces A beta 42 in an APP-YAC transgenic mouse model. (C) 2010 Elsevier Ltd. All rights reserved.