2-(6-bromopyridin-2-ylthio)-N,N-dimethylethanamine

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(6-bromopyridin-2-ylthio)-N,N-dimethylethanamine
• 英文别名: 2-(6-bromopyridin-2-yl)sulfanyl-N,N-dimethylethanamine
• 化学式: C₉H₁₃BrN₂S
• 分子量: 261.186
• InChiKey: ONJJIEKDZQAGJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  41.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  叔丁基氯化镁 、 2-(6-bromopyridin-2-ylthio)-N,N-dimethylethanamine 在 CuCN 作用下， 以 四氢呋喃 为溶剂， 生成 2-(6-tert-butylpyridin-2-yl)sulfanyl-N,N-dimethylethanamine
  参考文献：
  名称：

  Thiazoles and thiopyridines: novel series of high affinity h5HT7 ligands

  摘要：

  A series of thiazole based 5HT(7) ligands has been identified from screening. Optimisation of the pendent aryl group and modification of the core gave a related series of high affinity, selective thiopyridine based 5HT(7) ligands, the most active of which behaves as a partial agonist. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.050
• 作为产物：
  描述：

  2,6-二溴吡啶 、 2-甲胺乙硫醇盐酸盐 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(6-bromopyridin-2-ylthio)-N,N-dimethylethanamine
  参考文献：
  名称：

  Thiazoles and thiopyridines: novel series of high affinity h5HT7 ligands

  摘要：

  A series of thiazole based 5HT(7) ligands has been identified from screening. Optimisation of the pendent aryl group and modification of the core gave a related series of high affinity, selective thiopyridine based 5HT(7) ligands, the most active of which behaves as a partial agonist. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.050

文献信息

• SAR studies on new bis-aryls 5-HT7 ligands: Synthesis and molecular modeling
  作者：Eduard Badarau、Ryszard Bugno、Franck Suzenet、Andrzej J. Bojarski、Adriana-Luminita Finaru、Gérald Guillaumet

  DOI：10.1016/j.bmc.2010.01.035

  日期：2010.3

  Structure-activity relationships of a series of bis-arylic compounds, investigated as 5-HT7R ligands, are reported. The main structural modifications involved a central aryl moiety (phenyl, pyridine, diazine, triazine) and the nature and position of an amine-containing aliphatic chain. The affinity of the synthesized compounds (26 nM-10 mu M) was systematically correlated with other previously reported series of bis-arylic ligands and rationalized by a ligand-based pharmacophore approach. (C) 2010 Elsevier Ltd. All rights reserved.
• Thiazoles and thiopyridines: novel series of high affinity h5HT7 ligands
  作者：Christopher G. Thomson、Margaret S. Beer、Neil R. Curtis、Helen J. Diggle、Emma Handford、Janusz J. Kulagowski

  DOI：10.1016/j.bmcl.2003.11.050

  日期：2004.2

  A series of thiazole based 5HT(7) ligands has been identified from screening. Optimisation of the pendent aryl group and modification of the core gave a related series of high affinity, selective thiopyridine based 5HT(7) ligands, the most active of which behaves as a partial agonist. (C) 2003 Elsevier Ltd. All rights reserved.