1-[6-(4-甲基-1H-咪唑-1-基)-3-吡啶基]乙酮 | 810662-41-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-[6-(4-甲基-1H-咪唑-1-基)-3-吡啶基]乙酮
• 中文别名: 2-(苄硫基)-N-(2-吗啉代乙基)乙-1-胺
• 英文名称: 1-[6-(4-methylimidazole-1-yl)pyridin-3-yl]ethanone
• 英文别名: 1-(6-(4-Methyl-1H-imidazol-1-yl)pyridin-3-yl)ethanone；1-[6-(4-methylimidazol-1-yl)pyridin-3-yl]ethanone
• CAS: 810662-41-0
• 化学式: C₁₁H₁₁N₃O
• 分子量: 201.228
• InChiKey: AKVFGYABFRPYER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  47.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-[6-(4-甲基-1H-咪唑-1-基)-3-吡啶基]乙酮 在 氢溴酸 、 溴 、 溶剂黄146 作用下， 以 乙醇 、 氯仿 、 乙酸乙酯 为溶剂， 反应 19.5h， 生成 N-(5-tert-butyl-2-ethylpyrazol-3-yl)-4-[6-(4-methylimidazol-1-yl)pyridin-3-yl]-1,3-thiazol-2-amine
  参考文献：
  名称：

  Design and synthesis of novel methoxypyridine-derived gamma-secretase modulators

  摘要：

  The evolution of gamma-secretase modulators (GSMs) through the introduction of novel heterocycles with the goal of aligning activity for reducing the levels of Aβ42 and properties consistent with a drug-like molecule are described. The insertion of a methoxypyridine motif within the tetracyclic scaffold provided compounds with improved activity for arresting Aβ42 production as well as improved properties, including solubility. In vivo pharmacokinetic analysis demonstrated that several compounds within the novel series were capable of crossing the BBB and accessing the therapeutic target. Treatment with methoxypyridine-derived compound 64 reduced Aβ42 levels in the plasma of J20 mice, in addition to reducing Aβ42 levels in the plasma and brain of Tg2576 mice.

  DOI：

  10.1016/j.bmc.2020.115734
• 作为产物：
  描述：

  4-甲基咪唑 、 2-氯-5-乙酰基吡啶 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 22.0h， 以67%的产率得到1-[6-(4-甲基-1H-咪唑-1-基)-3-吡啶基]乙酮
  参考文献：
  名称：

  [EN] COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS
  [FR] COMPOSÉS ET LEURS UTILISATIONS DANS LA MODULATION DES NIVEAUX DE DIFFÉRENTES ALLOFORMES DU PEPTIDE AMYLOÏDE BÊTA

  摘要：

  公开号：

  WO2011163636A3

文献信息

• Compounds and uses thereof in modulating amyloid beta
  申请人：Cheng Soan

  公开号：US20050070538A1

  公开（公告）日：2005-03-31

  Novel compounds, compositions, and kits are provided. Methods of modulating Aβ levels, and methods of treating a disease associated with aberrant Aβ levels are also provided.

  本发明提供了新的化合物，组合物和试剂盒。还提供了调节Aβ水平的方法，以及治疗与异常Aβ水平相关的疾病的方法。
• COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA
  申请人：Cheng Soan

  公开号：US20070249833A1

  公开（公告）日：2007-10-25

  Novel compounds, compositions, and kits are provided. Methods of modulating Aβ levels, and methods of treating a disease associated with aberrant Aβ levels are also provided.

  提供了新型化合物、组合物和试剂盒。还提供了调节Aβ水平的方法和治疗与异常Aβ水平相关的疾病的方法。
• Compounds and Uses Thereof in Modulating Amyloid Beta
  申请人：Cheng Soan

  公开号：US20070260058A1

  公开（公告）日：2007-11-08

  Novel compounds, compositions, and kits are provided. Methods of modulating Aβ levels, and methods of treating a disease associated with aberrant Aβ levels are also provided.

  本发明提供了新的化合物、组合物和试剂盒。还提供了调节Aβ水平的方法以及治疗与异常Aβ水平相关的疾病的方法。
• α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom
  申请人：Neurogenetic Pharmaceuticals, Inc.

  公开号：US07799808B2

  公开（公告）日：2010-09-21

  Novel compounds, compositions, and kits are provided. Methods of modulating Aβ levels, and methods of treating a disease associated with aberrant Aβ levels are also provided.

  本发明提供了新的化合物、组合物和试剂盒。还提供了调节Aβ水平的方法以及治疗与异常Aβ水平相关的疾病的方法。
• Compounds and uses thereof in modulating amyloid β
  申请人：Neurogenetic Pharmaceuticals, Inc.

  公开号：US08017629B2

  公开（公告）日：2011-09-13

  Novel compounds, compositions, and kits are provided. Methods of modulating Aβ levels, and methods of treating a disease associated with aberrant Aβ levels are also provided.

  本发明提供了新的化合物、组合物和试剂盒。还提供了调节Aβ水平的方法以及治疗与异常Aβ水平相关的疾病的方法。