2-pyridin-2-yl-4-m-tolylsulfanyl-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: 2-pyridin-2-yl-4-m-tolylsulfanyl-pyrimidine
• 英文别名: 2-(Pyridin-2-yl)-4-(m-tolylthio)pyrimidine；4-(3-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
• 化学式: C₁₆H₁₃N₃S
• 分子量: 279.365
• InChiKey: LUFGLBRBPWCPQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  64
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-脒基吡啶盐酸盐 在 sodium ethanolate 、 三氯氧磷 作用下， 以 乙醇 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 2-pyridin-2-yl-4-m-tolylsulfanyl-pyrimidine
  参考文献：
  名称：

  Structure–activity relationship of thiopyrimidines as mGluR5 antagonists

  摘要：

  Structure-activity relationship investigations of the thiopyrimidine (1), an HTS hit with micromolar activity as a metabotropic glutamate receptor 5 (mGluR5) antagonist, led to compounds with sub-micromolar activity. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.100

文献信息

• [EN] NEW COMPOUNDS<br/>[FR] COMPOSES
  申请人：ASTRAZENECA AB

  公开号：WO2005082884A2

  公开（公告）日：2005-09-09

  The present invention is directed to novel compounds, to a process for their preparation, their use in therapy and pharmaceutical compositions comprising the novel compounds.
• Structure–activity relationship of thiopyrimidines as mGluR5 antagonists
  作者：Lance G. Hammerland、Martin Johansson、Jonas Malmström、Jan P. Mattsson、Alexander B.E. Minidis、Karolina Nilsson、Alecia Peterson、David Wensbo、Andreas Wållberg、Krister Österlund

  DOI：10.1016/j.bmcl.2006.01.100

  日期：2006.5

  Structure-activity relationship investigations of the thiopyrimidine (1), an HTS hit with micromolar activity as a metabotropic glutamate receptor 5 (mGluR5) antagonist, led to compounds with sub-micromolar activity. (C) 2006 Elsevier Ltd. All rights reserved.