5-(3-methoxyphenyl)-4-(4-neopentylpiperazin-1-yl)-2-(pyridin-4-yl)pyrimidine

• 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: 5-(3-methoxyphenyl)-4-(4-neopentylpiperazin-1-yl)-2-(pyridin-4-yl)pyrimidine
• 英文别名: 4-[4-(2,2-Dimethylpropyl)piperazin-1-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine；4-[4-(2,2-dimethylpropyl)piperazin-1-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine
• 化学式: C₂₅H₃₁N₅O
• 分子量: 417.554
• InChiKey: MJLLSOLPOPMEIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  54.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-amidinopyridine hydrochloride 在 bis-triphenylphosphine-palladium(II) chloride 、 草酰氯 、 sodium carbonate 、 N,N-二异丙基乙胺 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 37.0h， 生成 5-(3-methoxyphenyl)-4-(4-neopentylpiperazin-1-yl)-2-(pyridin-4-yl)pyrimidine
  参考文献：
  名称：

  新型嘧啶形成环化

  摘要：

  描述了一种新颖的反应，该反应可通过1，2-二溴代烯酮和cycl的环化轻松获得5-溴嘧啶。

  DOI：

  10.1016/j.tetlet.2019.151369

文献信息

• PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF BACTERIAL DISEASES
  申请人：JANSSEN R&D IRELAND

  公开号：US20150087651A1

  公开（公告）日：2015-03-26

  The present invention relates to novel compounds of formula I: or a pharmaceutically acceptable salt thereof, wherein the integers are as defined in the description. The claimed compounds are useful for the treatment of a bacterial infection. Also claimed is a composition comprising a pharmaceutically acceptable carrier and, as active ingredient, a therapeutically effective amount of the claimed compounds, the use of the claimed compounds or compositions for the manufacture of a medicament for the treatment of a bacterial infection and a process for preparing the claimed compounds.

  本发明涉及以下式I的新化合物： 或其药学上可接受的盐，其中整数如描述中所定义。 所述化合物可用于治疗细菌感染。还声明了一种包含药学上可接受的载体和所述化合物的治疗有效量作为活性成分的组合物，所述化合物或组合物用于制造治疗细菌感染药物的声明以及制备所述化合物的方法。
• Pyrimidine derivatives for the treatment of bacterial diseases
  申请人：JANSSEN R&D IRELAND

  公开号：US10221157B2

  公开（公告）日：2019-03-05

  The present invention relates to novel compounds of formula I: or a pharmaceutically acceptable salt thereof, wherein the integers are as defined in the description. The claimed compounds are useful for the treatment of a bacterial infection. Also claimed is a composition comprising a pharmaceutically acceptable carrier and, as active ingredient, a therapeutically effective amount of the claimed compounds, the use of the claimed compounds or compositions for the manufacture of a medicament for the treatment of a bacterial infection and a process for preparing the claimed compounds.

  本发明涉及式 I 的新型化合物： 或其药学上可接受的盐，其中的整数如描述中所定义。 所要求的化合物可用于治疗细菌感染。本发明还要求一种组合物，该组合物包含药学上可接受的载体和作为活性成分的治疗有效量的所要求的化合物；使用所要求的化合物或组合物制造治疗细菌感染的药物；以及制备所要求的化合物的工艺。
• [EN] PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF BACTERIAL DISEASES<br/>[FR] NOUVEAUX COMPOSÉS ET NOUVELLE UTILISATION
  申请人：JANSSEN R & D IRELAND

  公开号：WO2013164337A9

  公开（公告）日：2014-09-18
• US9725432B2
  申请人：——

  公开号：US9725432B2

  公开（公告）日：2017-08-08
• [EN] NEW COMPOUNDS AND NEW USE<br/>[FR] NOUVEAUX COMPOSÉS ET NOUVELLE UTILISATION
  申请人：JANSSEN R & D IRELAND

  公开号：WO2013164337A1

  公开（公告）日：2013-11-07

  The present invention relates to novel compounds of formula (I) or a pharmaceutically acceptable salt thereof, wherein the integers are as defined in the description. The claimed compounds are useful for the treatment of a bacterial infection. Also claimed is a composition comprising a pharmaceutically acceptable carrier and, as active ingredient, a therapeutically effective amount of the claimed compounds, the use of the claimed compounds or compositions for the manufacture of a medicament for the treatment of a bacterial infection and a process for preparing the claimed compounds.