(E)-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylaldehyde | 1080671-44-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (E)-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylaldehyde
• 英文别名: (E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enal
• CAS: 1080671-44-8
• 化学式: C₁₄H₁₄N₂O₂
• 分子量: 242.277
• InChiKey: KVSNJBVFEXKNMD-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylaldehyde 在 盐酸羟胺 、 potassium acetate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylaldehyde oxime
  参考文献：
  名称：

  Cyclic Hydroxyamidines as Amide Isosteres: Discovery of Oxadiazolines and Oxadiazines as Potent and Highly Efficacious γ-Secretase Modulators in Vivo

  摘要：

  Cyclic hydroxyamidines were designed and validated as isosteric replacements of the amide functionality. Compounds with these structural motifs were found to be metabolically stable and to possess highly desirable pharmacokinetic profiles. These designs were applied in the identification of gamma-secretase modulators leading to highly efficacious agents for reduction of central nervous system A beta(42) in various animal models.

  DOI：

  10.1021/jm201407j
• 作为产物：
  描述：

  3-甲氧基-4-(4-甲基-1H-咪唑-1-基)苯甲醛 、 甲酰甲撑基三苯基磷 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 (E)-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylaldehyde
  参考文献：
  名称：

  Cyclic Hydroxyamidines as Amide Isosteres: Discovery of Oxadiazolines and Oxadiazines as Potent and Highly Efficacious γ-Secretase Modulators in Vivo

  摘要：

  Cyclic hydroxyamidines were designed and validated as isosteric replacements of the amide functionality. Compounds with these structural motifs were found to be metabolically stable and to possess highly desirable pharmacokinetic profiles. These designs were applied in the identification of gamma-secretase modulators leading to highly efficacious agents for reduction of central nervous system A beta(42) in various animal models.

  DOI：

  10.1021/jm201407j

文献信息

• [EN] GAMMA SECRETASE MODULATORS<br/>[FR] MODULATEURS DE LA GAMMA-SÉCRÉTASE
  申请人：SCHERING CORP

  公开号：WO2009005729A1

  公开（公告）日：2009-01-08

  In its many embodiments, the present invention provides a novel class of heterocyclic compounds as modulators of gamma secretase, methods of preparing such compounds, pharmaceutical compositions containing one or more such compounds, methods of preparing pharmaceutical formulations comprising one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the central nervous system using such compounds or pharmaceutical compositions.

  在其多种实施方式中，本发明提供了一种新型的杂环化合物类别，作为γ-分泌酶调节剂，以及制备这种化合物的方法、含有一种或多种这种化合物的药物组合物、制备包含一种或多种这种化合物的药物配方的方法，以及使用这种化合物或药物组合物治疗、预防、抑制或改善与中枢神经系统相关的一种或多种疾病的方法。
• GAMMA SECRETASE MODULATORS
  申请人：Zhu Zhaoning

  公开号：US20110053918A1

  公开（公告）日：2011-03-03

  In its many embodiments, the present invention provides a novel class of heterocyclic compounds as modulators of gamma secretase, methods of preparing such compounds, pharmaceutical compositions containing one or more such compounds, methods of preparing pharmaceutical formulations comprising one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the central nervous system using such compounds or pharmaceutical compositions.

  在其多种实施方式中，本发明提供了一类新型的杂环化合物作为γ-分泌酶调节剂，制备这种化合物的方法，含有一种或多种这种化合物的药物组合物，制备包含一种或多种这种化合物的药物制剂的方法，以及使用这种化合物或药物组合物治疗、预防、抑制或改善与中枢神经系统相关的一种或多种疾病的方法。
• GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  申请人：Huang Xianhai

  公开号：US20110027264A1

  公开（公告）日：2011-02-03

  This invention provides novel compounds that are modulators of gamma secretase. The compounds have the formula: 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-分泌酶调节剂。该化合物的化学式为：同时还揭示了使用式(I)的化合物调节γ-分泌酶活性和治疗阿尔茨海默病的方法。