2-((5-(2-(4-aminophenyl)benzo[d]thiazol-6-yloxy)pentyl)(2-(4-methoxybenzylthio)ethyl)amino)-N-(2-(4-methoxybenzylthio)ethyl)acetamide | 949095-72-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-((5-(2-(4-aminophenyl)benzo[d]thiazol-6-yloxy)pentyl)(2-(4-methoxybenzylthio)ethyl)amino)-N-(2-(4-methoxybenzylthio)ethyl)acetamide
• CAS: 949095-72-1
• 化学式: C₄₀H₄₈N₄O₄S₃
• 分子量: 745.044
• InChiKey: QXMLWYSVHZWZPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  51.0
• 可旋转键数：
  22.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  98.94
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  2-((5-(2-(4-aminophenyl)benzo[d]thiazol-6-yloxy)pentyl)(2-(4-methoxybenzylthio)ethyl)amino)-N-(2-(4-methoxybenzylthio)ethyl)acetamide 在 甲烷磺酸 、 苯甲醚 、 三氟乙酸 作用下， 反应 1.33h， 以93%的产率得到2-((5-(2-(4-aminophenyl)benzo[d]thiazol-6-yloxy)pentyl)(2-mercaptoethyl)amino)-N-(2-mercaptoethyl)acetamide
  参考文献：
  名称：

  Synthesis and biological evaluation of 99mTc, Re-monoamine-monoamide conjugated to 2-(4-aminophenyl)benzothiazole as potential probes for β-amyloid plaques in the brain

  摘要：

  The benzothiazole aniline (BTA) conjugated with monoamine-monoamide ( MAMA) was synthesized and then labeled with Tc-99m. Its corresponding rhenium analogue was synthesized, and the fluorescent staining was performed in brain sections of both Tg mouse and Alzheimer's disease ( AD) patient. The. uorescent rhenium complex Re-MAMA-BTA selectively bound to the amyloid aggregates in the brain sections of both APP Tg mouse and AD patient. The analogous Tc-99m-MAMA-BTA complex could enter the normal mouse brain with high initial uptake. These results are encouraging for further exploration of their derivatives as imaging agents for Ab plaques in the brain. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.071
• 作为产物：
  描述：

  N-(2-(4-methoxybenzylthio)ethyl)-2-((2-(4-methoxybenzylthio)ethyl)(5-(2-(4-nitrophenyl)benzo[d]thiazol-6-yloxy)pentyl)amino)acetamide 在 tin(ll) chloride 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 8.0h， 以71%的产率得到2-((5-(2-(4-aminophenyl)benzo[d]thiazol-6-yloxy)pentyl)(2-(4-methoxybenzylthio)ethyl)amino)-N-(2-(4-methoxybenzylthio)ethyl)acetamide
  参考文献：
  名称：

  Synthesis and biological evaluation of 99mTc, Re-monoamine-monoamide conjugated to 2-(4-aminophenyl)benzothiazole as potential probes for β-amyloid plaques in the brain

  摘要：

  The benzothiazole aniline (BTA) conjugated with monoamine-monoamide ( MAMA) was synthesized and then labeled with Tc-99m. Its corresponding rhenium analogue was synthesized, and the fluorescent staining was performed in brain sections of both Tg mouse and Alzheimer's disease ( AD) patient. The. uorescent rhenium complex Re-MAMA-BTA selectively bound to the amyloid aggregates in the brain sections of both APP Tg mouse and AD patient. The analogous Tc-99m-MAMA-BTA complex could enter the normal mouse brain with high initial uptake. These results are encouraging for further exploration of their derivatives as imaging agents for Ab plaques in the brain. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.071