2'-Fluoro-5'-[8-fluoro-7-(1-methyl-1-triethylsilanyloxy-ethyl)-imidazo[1,2-a]pyridin-3-yl]-biphenyl-2-carbonitrile | 882187-82-8

• 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'-Fluoro-5'-[8-fluoro-7-(1-methyl-1-triethylsilanyloxy-ethyl)-imidazo[1,2-a]pyridin-3-yl]-biphenyl-2-carbonitrile
• CAS: 882187-82-8
• 化学式: C₂₉H₃₁F₂N₃OSi
• 分子量: 503.667
• InChiKey: LDFPGHQASCDJPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.08
• 重原子数：
  36.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  50.32
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2'-Fluoro-5'-[8-fluoro-7-(1-methyl-1-triethylsilanyloxy-ethyl)-imidazo[1,2-a]pyridin-3-yl]-biphenyl-2-carbonitrile 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 2'-fluoro-5'-[8-fluoro-7-(2-hydroxyprop-2-yl)imidazo[1,2-a]pyridin-3-yl]biphenyl-2-carbonitrile
  参考文献：
  名称：

  8-Fluoroimidazo[1,2-a]pyridine: Synthesis, physicochemical properties and evaluation as a bioisosteric replacement for imidazo[1,2-a]pyrimidine in an allosteric modulator ligand of the GABAA receptor

  摘要：

  8-Fluoroimidazo[1,2-a]pyridine has been established as a physicochemical mimic of imidazo[1,2-a]pyrimidine, using both in silico and traditional techniques. Furthermore, a novel synthesis of a 3,7-disubstituted-8-fluoroimidazopyridine 3 has been developed and the utility of the physicochemical mimicry has been demonstrated in an in vitro system. Here, the 8-fluoroimidazopyridine ring contained in ligand 3 acts as a bioisosteric replacement for imidazopyrimidine in the GABA(A) receptor modulator 2. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.037
• 作为产物：
  描述：

  2-(8-氟咪唑并[1,2-a]吡啶-7-基)丙烷-2-醇 在 四(三苯基膦)钯 、 溴 、 sodium acetate 、 sodium carbonate 、 N,N-二异丙基乙胺 、 potassium bromide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 生成 2'-Fluoro-5'-[8-fluoro-7-(1-methyl-1-triethylsilanyloxy-ethyl)-imidazo[1,2-a]pyridin-3-yl]-biphenyl-2-carbonitrile
  参考文献：
  名称：

  8-Fluoroimidazo[1,2-a]pyridine: Synthesis, physicochemical properties and evaluation as a bioisosteric replacement for imidazo[1,2-a]pyrimidine in an allosteric modulator ligand of the GABAA receptor

  摘要：

  8-Fluoroimidazo[1,2-a]pyridine has been established as a physicochemical mimic of imidazo[1,2-a]pyrimidine, using both in silico and traditional techniques. Furthermore, a novel synthesis of a 3,7-disubstituted-8-fluoroimidazopyridine 3 has been developed and the utility of the physicochemical mimicry has been demonstrated in an in vitro system. Here, the 8-fluoroimidazopyridine ring contained in ligand 3 acts as a bioisosteric replacement for imidazopyrimidine in the GABA(A) receptor modulator 2. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.037