2-amino-3-[(1S)-1-(4-fluorophenyl)ethyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-one | 1128102-73-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-amino-3-[(1S)-1-(4-fluorophenyl)ethyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-one
• CAS: 1128102-73-7
• 化学式: C₂₄H₂₄FN₅O₂
• 分子量: 433.485
• InChiKey: ABWOMWXVKUSNFU-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  85.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以50%的产率得到2-amino-3-[(1S)-1-(4-fluorophenyl)ethyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-one
  参考文献：
  名称：

  Iminoheterocycles as γ-secretase modulators

  摘要：

  The synthesis of a novel series of iminoheterocycles and their structure-activity relationship (SAR) as modulators of gamma-secretase activity will be detailed. Encouraging SAR generated from a monocyclic core led to a structurally unique bicyclic core. Selected compounds exhibit good potency as gamma-secretase modulators, excellent rat pharmacokinetics, and lowering of A beta(42) levels in various in vivo models. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.121

文献信息

• GAMMA SECRETASE MODULATORS
  申请人：Aslanian Robert G.

  公开号：US20110082153A1

  公开（公告）日：2011-04-07

  This invention provides novel compounds that are modulators of gamma secretase. The compounds have the formula (I). Also disclosed are methods of modulating gamma secretase activity and methods of treating Alzheimer's Disease using the compounds of formula (I).
• US8518975B2
  申请人：——

  公开号：US8518975B2

  公开（公告）日：2013-08-27
• Iminoheterocycles as γ-secretase modulators
  作者：John P. Caldwell、Chad E. Bennett、Troy M. McCracken、Robert D. Mazzola、Thomas Bara、Alexei Buevich、Duane A. Burnett、Inhou Chu、Mary Cohen-Williams、Hubert Josein、Lynn Hyde、Julie Lee、Brian McKittrick、Lixin Song、Giuseppe Terracina、Johannes Voigt、Lili Zhang、Zhaoning Zhu

  DOI：10.1016/j.bmcl.2010.07.121

  日期：2010.9

  The synthesis of a novel series of iminoheterocycles and their structure-activity relationship (SAR) as modulators of gamma-secretase activity will be detailed. Encouraging SAR generated from a monocyclic core led to a structurally unique bicyclic core. Selected compounds exhibit good potency as gamma-secretase modulators, excellent rat pharmacokinetics, and lowering of A beta(42) levels in various in vivo models. (c) 2010 Elsevier Ltd. All rights reserved.