5-[6-(Methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide | 1224696-66-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 5-[6-(Methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
• CAS: 1224696-66-5
• 化学式: C₁₄H₁₂N₄OS
• 分子量: 284.341
• InChiKey: DZPUFETXQDBHEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-溴吡啶甲酰胺 、 N-甲基-6-苯并噻唑胺 在 bis(tri-tert-butylphosphine)palladium(0) 、 caesium carbonate 、 copper(I) bromide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-[6-(Methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
  参考文献：
  名称：

  Synthesis and evaluation of 2-pyridylbenzothiazole, 2-pyridylbenzoxazole and 2-pyridylbenzofuran derivatives as 11C-PET imaging agents for β-amyloid plaques

  摘要：

  The syntheses and SAR of new series of beta-amyloid binding agents are reported. The effort to optimize signal-to-background ratios for these ligands are described. Compounds 8, 21 and 30 displayed desirable lipophilicity and pharmacokinetic properties. Compounds 8 and 21 were evaluated with in vitro autoradiographic studies and in vivo in APP/PS1 transgenic mice. It is shown that it was possible to increase the signal-to-background ratios compared to PIB 1, as demonstrated by compounds 8 and 21. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.105

文献信息

• Synthesis and evaluation of 2-pyridylbenzothiazole, 2-pyridylbenzoxazole and 2-pyridylbenzofuran derivatives as 11C-PET imaging agents for β-amyloid plaques
  作者：Britt-Marie Swahn、David Wensbo、Johan Sandell、Daniel Sohn、Can Slivo、David Pyring、Jonas Malmström、Erwan Arzel、Michaela Vallin、Margareta Bergh、Fredrik Jeppsson、Allan E. Johnson、Anders Juréus、Jan Neelissen、Samuel Svensson

  DOI：10.1016/j.bmcl.2010.01.105

  日期：2010.3

  The syntheses and SAR of new series of beta-amyloid binding agents are reported. The effort to optimize signal-to-background ratios for these ligands are described. Compounds 8, 21 and 30 displayed desirable lipophilicity and pharmacokinetic properties. Compounds 8 and 21 were evaluated with in vitro autoradiographic studies and in vivo in APP/PS1 transgenic mice. It is shown that it was possible to increase the signal-to-background ratios compared to PIB 1, as demonstrated by compounds 8 and 21. (C) 2010 Elsevier Ltd. All rights reserved.