6-(3-bromopropoxy)-2-(4-(dimethylamino)phenyl)-4H-chromen-4-one | 1254950-57-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 6-(3-bromopropoxy)-2-(4-(dimethylamino)phenyl)-4H-chromen-4-one
• CAS: 1254950-57-6
• 化学式: C₂₀H₂₀BrNO₃
• 分子量: 402.288
• InChiKey: VWDBHBPZGFBPLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.69
• 重原子数：
  25.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  42.68
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  6-(3-bromopropoxy)-2-(4-(dimethylamino)phenyl)-4H-chromen-4-one 、 tert-butyl 2-(tritylthio) ethyl (2-(2-(tritylthio)ethylamino)ethyl)carbamate 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以5%的产率得到Tr-BAT-C3-FL
  参考文献：
  名称：

  99mTc/Re complexes based on flavone and aurone as SPECT probes for imaging cerebral β-amyloid plaques

  摘要：

  Two Tc-99m/Re complexes based on flavone and aurone were tested as potential probes for imaging beta-amyloid plaques using single photon emission computed tomography. Both Tc-99m-labeled derivatives showed higher affinity for A beta(1-42) aggregates than did Tc-99m-BAT. In sections of brain tissue from an animal model of AD, the Re-flavone derivative 9 and Re-aurone derivative 19 intensely stained beta-amyloid plaques. In biodistribution experiments using normal mice, Tc-99m-labeled flavone and aurone displayed similar radioactivity pharmacokinetics. With additional modifications to improve their brain uptake, Tc-99m complexes based on the flavone or aurone scaffold may serve as probes for imaging cerebral beta-amyloid plaques. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.004
• 作为产物：
  描述：

  2-(4-(dimethylamino)phenyl)-6-hydroxy-4H-chromen-4-one 、 1,3-二溴丙烷 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以64%的产率得到6-(3-bromopropoxy)-2-(4-(dimethylamino)phenyl)-4H-chromen-4-one
  参考文献：
  名称：

  99mTc/Re complexes based on flavone and aurone as SPECT probes for imaging cerebral β-amyloid plaques

  摘要：

  Two Tc-99m/Re complexes based on flavone and aurone were tested as potential probes for imaging beta-amyloid plaques using single photon emission computed tomography. Both Tc-99m-labeled derivatives showed higher affinity for A beta(1-42) aggregates than did Tc-99m-BAT. In sections of brain tissue from an animal model of AD, the Re-flavone derivative 9 and Re-aurone derivative 19 intensely stained beta-amyloid plaques. In biodistribution experiments using normal mice, Tc-99m-labeled flavone and aurone displayed similar radioactivity pharmacokinetics. With additional modifications to improve their brain uptake, Tc-99m complexes based on the flavone or aurone scaffold may serve as probes for imaging cerebral beta-amyloid plaques. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.004