4-[(E)-2-[4-[6-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]aniline | 1018069-07-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-[(E)-2-[4-[6-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]aniline
• CAS: 1018069-07-2
• 化学式: C₂₄H₂₁FN₂O₂
• 分子量: 388.441
• InChiKey: MVRFTFQKAPNEGE-NSCUHMNNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  61.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenyl]-1,3-benzoxazol-6-ol 、 3-氟甲苯磺酸丙酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 4-[(E)-2-[4-[6-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]aniline
  参考文献：
  名称：

  Synthesis and evaluation of stilbenylbenzoxazole and stilbenylbenzothiazole derivatives for detecting β-amyloid fibrils

  摘要：

  This paper describes a novel series of stilbenylbenzoxazole ( SBO) and stilbenylbenzothiazole ( SBT) derivatives for beta- amyloid specific binding probes. These 24 compounds were synthesized and evaluated by competitive binding assay against beta- amyloid 1 - 42 ( A beta 42) aggregates using [I-125] TZDM. All the derivatives displayed higher binding affinities with K-i value in the subnanomolar range ( 0.10 - 0.74 nM) than Pittsburgh Compound- B ( PIB) ( 0.77 nM). Among these derivatives, SBT- 2, 5-. uoroethoxy- 2-{ 4-[ 2-( 4- methylaminophenyl) vinyl] phenyl} benzothiazole, showed lowest K-i value ( 0.10 nM). In conclusion, the preliminary results suggest that these compounds are implying a possibility as a probe for detection of A beta fibrils in Alzheimer's disease (AD) patients. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.004