N-(4-ethoxy-2-methylphenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine | 1048388-23-3

• 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-(4-ethoxy-2-methylphenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine
• CAS: 1048388-23-3
• 化学式: C₂₆H₃₃N₅O₂
• 分子量: 447.58
• InChiKey: SMKXTUQDLSRMEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-(4-甲氧基苯基)-2,2-二甲基哌嗪 、 2-chloro-N-(4-ethoxy-2-methylphenyl)pyrimidin-4-amine 在 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 生成 N-(4-ethoxy-2-methylphenyl)-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

• PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS
  申请人：Blurton Peter

  公开号：US20100204230A1

  公开（公告）日：2010-08-12

  Compounds of formula (I) selectively inhibit production of Aβ(1-42) and hence find use in treatment of Alzheimer's disease and other conditions associated with deposition of A(β) in the brain.

  公式（I）的化合物选择性地抑制Aβ（1-42）的产生，因此可用于治疗阿尔茨海默病和其他与Aβ在脑中沉积有关的疾病。
• [EN] PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS<br/>[FR] DÉRIVÉS DE PIPÉRAZINE POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER ET DES CONDITIONS APPARENTÉES
  申请人：MERCK & CO INC

  公开号：WO2008099210A2

  公开（公告）日：2008-08-21

  [EN] Compounds of formula (I) selectively inhibitproduction of Aß(1-42) and hence find use in treatment of Alzheimer's disease and other conditions associated with deposition ofA(ß) in the brain.
  [FR] L'invention porte sur des composés de formule (I) qui inhibent de façon sélective la production de Aß(1-42) et trouvent par là utilisation dans le traitement de la maladie d'Alzheimer et autres conditions associées au dépôt de A(ß) dans le cerveau.
• 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.