2-((5-(2-(4-aminophenyl)benzo[d]thiazol-6-yloxy)pentyl)(2-mercaptoethyl)amino)-N-(2-mercaptoethyl)acetamide | 949095-73-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-((5-(2-(4-aminophenyl)benzo[d]thiazol-6-yloxy)pentyl)(2-mercaptoethyl)amino)-N-(2-mercaptoethyl)acetamide
• 英文别名: 2-[5-[[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]oxy]pentyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
• CAS: 949095-73-2
• 化学式: C₂₄H₃₂N₄O₂S₃
• 分子量: 504.742
• InChiKey: DRODOAPFKDVFRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  33
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  111
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  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

文献信息

• 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
  作者：Xiangji Chen、Pingrong Yu、Lianfeng Zhang、Boli Liu

  DOI：10.1016/j.bmcl.2007.12.071

  日期：2008.2

  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.