3-methyl-2-phenethyloxy-6-pyridin-4-yl-3H-pyrimidin-4-one | 1264941-93-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-methyl-2-phenethyloxy-6-pyridin-4-yl-3H-pyrimidin-4-one
• 英文别名: 3-Methyl-2-(2-phenylethoxy)-6-pyridin-4-ylpyrimidin-4-one
• CAS: 1264941-93-6
• 化学式: C₁₈H₁₇N₃O₂
• 分子量: 307.352
• InChiKey: XJJODUOWCSIELD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  54.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  异烟酰乙酸乙酯 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 3-methyl-2-phenethyloxy-6-pyridin-4-yl-3H-pyrimidin-4-one
  参考文献：
  名称：

  6-(4-Pyridyl)pyrimidin-4(3H)-ones as CNS penetrant glycogen synthase kinase-3β inhibitors

  摘要：

  The discovery of a series of 6-(4-pyridyl)pyrimidin-4(3H)-ones derived from a hit compound with low molecular weight and sufficient chemical space is reported. Transformation of substituents led to subnanomolar potent inhibitors with in vivo tau phoshorylation lowering activity. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.09.021

文献信息

• PYRIMIDONE DERIVATIVES
  申请人：Nakayama Kazuki

  公开号：US20120208797A1

  公开（公告）日：2012-08-16

  A compound represented by the formula (I) or a pharmaceutically acceptable salt thereof: wherein Z represents nitrogen atom or C—X; X represents hydrogen atom or fluorine atom; R 1 is hydrogen atom or a C 1 -C 3 alkyl group; L represents single bond or a C 1 -C 6 alkylene group which may be substituted; Y represents single bond, sulfur atom, oxygen atom, NH, or the like; R 2 represents hydrogen atom or a cyclic group which may be substituted, which is used for preventive and/or therapeutic treatment of a disease caused by abnormal activity of tau protein kinase 1 such as a neurodegenerative diseases (e.g. Alzheimer disease).

  化合物的化学式为(I)或其药学上可接受的盐：其中，Z代表氮原子或C-X；X代表氢原子或氟原子；R1代表氢原子或C1-C3烷基；L代表单键或C1-C6烷基，可以被取代；Y代表单键、硫原子、氧原子、NH或类似物；R2代表氢原子或可以被取代的环状基团。该化合物用于预防和/或治疗由tau蛋白激酶1异常活性引起的疾病，例如神经退行性疾病（如阿尔茨海默病）。
• US9006232B2
  申请人：——

  公开号：US9006232B2

  公开（公告）日：2015-04-14
• 6-(4-Pyridyl)pyrimidin-4(3H)-ones as CNS penetrant glycogen synthase kinase-3β inhibitors
  作者：Fumiaki Uehara、Aya Shoda、Keiichi Aritomo、Kenji Fukunaga、Kazutoshi Watanabe、Ryoichi Ando、Masaki Shinoda、Hiroaki Ueno、Hideo Kubodera、Shinji Sunada、Ken-Ichi Saito、Takahide Kaji、Shoichi Asano、Jun-ichi Eguchi、Satoshi Yuki、Shinji Tanaka、Yukimi Yoneyama、Takuro Niwa

  DOI：10.1016/j.bmcl.2013.09.021

  日期：2013.12

  The discovery of a series of 6-(4-pyridyl)pyrimidin-4(3H)-ones derived from a hit compound with low molecular weight and sufficient chemical space is reported. Transformation of substituents led to subnanomolar potent inhibitors with in vivo tau phoshorylation lowering activity. (C) 2013 Elsevier Ltd. All rights reserved.