1-(6-Thiomorpholin-4-ylpyridin-3-yl)ethanone | 727381-90-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-(6-Thiomorpholin-4-ylpyridin-3-yl)ethanone
• 英文别名: 1-(6-thiomorpholin-4-ylpyridin-3-yl)ethanone
• CAS: 727381-90-0
• 化学式: C₁₁H₁₄N₂OS
• 分子量: 222.311
• InChiKey: NJCMVTRSJKQPAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  58.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(6-Thiomorpholin-4-ylpyridin-3-yl)ethanone 在 tris formamide 、 ammonium acetate 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 5-(3-Bromo-phenyl)-7-(6-thiomorpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
  参考文献：
  名称：

  Pyridopyrimidine analogues as novel adenosine kinase inhibitors

  摘要：

  A novel series of pyridopyrimidine analogues 9 was identified as potent adenosine kinase inhibitors based on the SAR and computational studies. Substitution of the C7 position of the pyridopyrimidino core with C2 ' substituted pyridino moiety increased the in vivo potency and enhanced oral bioavailability of these adenosine kinase inhibitors. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00375-4
• 作为产物：
  描述：

  6-氯吡啶-3-羰酰氯 在 三乙胺 、 丙二酸二甲酯 、 magnesium chloride 作用下， 以 乙醇 为溶剂， 生成 1-(6-Thiomorpholin-4-ylpyridin-3-yl)ethanone
  参考文献：
  名称：

  Pyridopyrimidine analogues as novel adenosine kinase inhibitors

  摘要：

  A novel series of pyridopyrimidine analogues 9 was identified as potent adenosine kinase inhibitors based on the SAR and computational studies. Substitution of the C7 position of the pyridopyrimidino core with C2 ' substituted pyridino moiety increased the in vivo potency and enhanced oral bioavailability of these adenosine kinase inhibitors. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00375-4

文献信息

• Pyridopyrimidine analogues as novel adenosine kinase inhibitors
  作者：Guo Zhu Zheng、Chih-Hung Lee、John K Pratt、Richard J Perner、Mei Qun Jiang、Arthur Gomtsyan、Mark A Matulenko、Yui Mao、John R Koenig、Ki H Kim、Steve Muchmore、Haixia Yu、Kathy Kohlhaas、Karen M Alexander、Steve McGaraughty、Katharine L Chu、Carol T Wismer、Joseph Mikusa、Michael F Jarvis、Kennan Marsh、Elizabeth A Kowaluk、Shripad S Bhagwat、Andrew O Stewart

  DOI：10.1016/s0960-894x(01)00375-4

  日期：2001.8

  A novel series of pyridopyrimidine analogues 9 was identified as potent adenosine kinase inhibitors based on the SAR and computational studies. Substitution of the C7 position of the pyridopyrimidino core with C2 ' substituted pyridino moiety increased the in vivo potency and enhanced oral bioavailability of these adenosine kinase inhibitors. (C) 2001 Elsevier Science Ltd. All rights reserved.