7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[5,4-b]pyridine | 1160359-33-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[5,4-b]pyridine
• CAS: 1160359-33-0
• 化学式: C₂₅H₂₅FN₄O₂
• 分子量: 432.498
• InChiKey: YAEXPFSGRWAFJA-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  56.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-[1-(4-fluorophenyl)ethyl]-3-[N-hydroxy-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonimidoyl]piperidin-2-one 在 四磷十氧化物 作用下， 以 乙醇 为溶剂， 生成 7-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[5,4-b]pyridine 、 7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6-dihydro-4H-[1,2]oxazolo[5,4-b]pyridine
  参考文献：
  名称：

  Discovery of fused 5,6-bicyclic heterocycles as γ-secretase modulators

  摘要：

  We herein report the discovery of four series of fused 5,6-bicyclic heterocycles as gamma-secretase modulators. Synthesis and SAR of these series are discussed. These compounds represent a new class of gamma-secretase modulators that demonstrate moderate to good in vitro potency in inhibiting A beta(42) production. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.012

文献信息

• GAMMA SECRETASE MODULATORS
  申请人：Huang Xianhai

  公开号：US20110015190A1

  公开（公告）日：2011-01-20

  This invention provides novel compounds that are modulators of gamma secretase. The compounds have the formula (I) wherein R 2 is a fused bicyclic ring of the formula (II). Also disclosed are methods of modulating gamma secretase activity and methods of treating Alzheimer's disease using the compounds of formula (I).

  本发明提供了一种新型化合物，其为γ-分泌酶的调节剂。该化合物的化学式为(I)，其中R2是化学式(II)的融合双环。此外，还揭示了利用化合物(I)调节γ-分泌酶活性和治疗阿尔茨海默病的方法。
• US8450343B2
  申请人：——

  公开号：US8450343B2

  公开（公告）日：2013-05-28
• Discovery of fused 5,6-bicyclic heterocycles as γ-secretase modulators
  作者：Jun Qin、Pawan Dhondi、Xianhai Huang、Mihirbaran Mandal、Zhiqiang Zhao、Dmitri Pissarnitski、Wei Zhou、Robert Aslanian、Zhaoning Zhu、William Greenlee、John Clader、Lili Zhang、Mary Cohen-Williams、Nicholas Jones、Lynn Hyde、Anandan Palani

  DOI：10.1016/j.bmcl.2010.12.012

  日期：2011.1

  We herein report the discovery of four series of fused 5,6-bicyclic heterocycles as gamma-secretase modulators. Synthesis and SAR of these series are discussed. These compounds represent a new class of gamma-secretase modulators that demonstrate moderate to good in vitro potency in inhibiting A beta(42) production. (C) 2010 Elsevier Ltd. All rights reserved.