2-butylimino-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-4-one

• 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-butylimino-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-4-one
• 化学式: C₂₇H₃₀FN₅O₂
• 分子量: 475.566
• InChiKey: NPOTZKGVJBZEPV-LJQANCHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  正丁胺 、 C₂₃H₂₀ClFN₄O₂ 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 2-butylimino-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazolidin-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

• 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.