4-(6-Fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline | 1221793-09-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(6-Fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
• CAS: 1221793-09-4
• 化学式: C₁₅H₁₀FN₃S
• 分子量: 283.329
• InChiKey: ITLNJFMGWTXGNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(6-Fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline 在 甲醇 、 sodium tetrahydroborate 、 sodium methylate 作用下， 反应 4.0h， 生成 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline
  参考文献：
  名称：

  2-Arylimidazo[2,1-b]benzothiazoles: A new family of amyloid binding agents with potential for PET and SPECT imaging of Alzheimer’s brain

  摘要：

  We designed and synthesized a small series of 2-aryl-imidazo[2,1-b]benzothiazole, representing a combination of motifs from the two most potent amyloid imaging agents, PIB and IMPY. The binding affinity of the new compounds ranged from 6 to 133 nM. Among the best compounds, 3b (K-i = 6 nM) can be labeled with (CH3)-C-11 for PET imaging whereas 3j (K-i = 10.9 nM) can be labeled with I-123 for SPECT imaging. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.052
• 作为产物：
  描述：

  2-氨基-6-氟苯并噻唑 在 tin(II) chloride dihdyrate 作用下， 以 乙醇 为溶剂， 反应 10.0h， 生成 4-(6-Fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
  参考文献：
  名称：

  2-Arylimidazo[2,1-b]benzothiazoles: A new family of amyloid binding agents with potential for PET and SPECT imaging of Alzheimer’s brain

  摘要：

  We designed and synthesized a small series of 2-aryl-imidazo[2,1-b]benzothiazole, representing a combination of motifs from the two most potent amyloid imaging agents, PIB and IMPY. The binding affinity of the new compounds ranged from 6 to 133 nM. Among the best compounds, 3b (K-i = 6 nM) can be labeled with (CH3)-C-11 for PET imaging whereas 3j (K-i = 10.9 nM) can be labeled with I-123 for SPECT imaging. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.052