(2-Pyridin-4-ylpyrimidin-5-yl)methanamine | 729589-45-1

• 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-4-ylpyrimidin-5-yl)methanamine
• CAS: 729589-45-1
• 化学式: C₁₀H₁₀N₄
• 分子量: 186.216
• InChiKey: QWIOTZAQNGVSFX-UHFFFAOYSA-N

物化性质

• 沸点：
  286.0±40.0 °C(Predicted)
• 密度：
  1.206±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  64.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-Pyridin-4-ylpyrimidin-5-yl)methanamine 、 6-Chloro-8-(2-cyclopentyl-ethyl)-9H-purine 在 N,N-二异丙基乙胺 作用下， 以 正丁醇 为溶剂， 生成
  参考文献：
  名称：

  Structure-based design, synthesis, and antimicrobial activity of purine derived SAH/MTA nucleosidase inhibitors

  摘要：

  The structure-based design, synthesis, and biological activity of novel inhibitors of S-adenosyl homocysteine/methylthioadenosine (SAH/MTA) nucleosidase are described. Using 6-substituted purine and deaza purines as the core scaffolds, a systematic and structure guided series of modifications provided low nM inhibitors with broad-spectrum antimicrobial activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.006
• 作为产物：
  描述：

  4-amidinopyridine hydrochloride 在 palladium dihydroxide 氯化亚砜 、 sodium azide 、 potassium ethoxide 、 氢气 、 二异丁基氢化铝 、 N,N-二异丙基乙胺 、 N,N-二甲基甲酰胺 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 四氯化碳 、 乙醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 (2-Pyridin-4-ylpyrimidin-5-yl)methanamine
  参考文献：
  名称：

  Structure-based design, synthesis, and antimicrobial activity of purine derived SAH/MTA nucleosidase inhibitors

  摘要：

  The structure-based design, synthesis, and biological activity of novel inhibitors of S-adenosyl homocysteine/methylthioadenosine (SAH/MTA) nucleosidase are described. Using 6-substituted purine and deaza purines as the core scaffolds, a systematic and structure guided series of modifications provided low nM inhibitors with broad-spectrum antimicrobial activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.006

文献信息

• Structure-based design, synthesis, and antimicrobial activity of purine derived SAH/MTA nucleosidase inhibitors
  作者：Martina E. Tedder、Zhe Nie、Stephen Margosiak、Shaosong Chu、Victoria A. Feher、Robert Almassy、Krzysztof Appelt、Kraig M. Yager

  DOI：10.1016/j.bmcl.2004.04.006

  日期：2004.6

  The structure-based design, synthesis, and biological activity of novel inhibitors of S-adenosyl homocysteine/methylthioadenosine (SAH/MTA) nucleosidase are described. Using 6-substituted purine and deaza purines as the core scaffolds, a systematic and structure guided series of modifications provided low nM inhibitors with broad-spectrum antimicrobial activity. (C) 2004 Elsevier Ltd. All rights reserved.