2,4,6-trifluoro-3-hydroxybenzaldehyde | 1093253-75-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,4,6-trifluoro-3-hydroxybenzaldehyde
• CAS: 1093253-75-8
• 化学式: C₇H₃F₃O₂
• 分子量: 176.095
• InChiKey: LAWBMHPZHBUSIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,4,6-trifluoro-3-hydroxybenzaldehyde 、 2-[tris(4-methoxyphenyl)methoxy]ethylamine 在 3 A molecular sieve 作用下， 以 乙醇 为溶剂， 反应 20.0h， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of aminomethylphenol derivatives as inhibitors of the murine GABA transporters mGAT1–mGAT4

  摘要：

  A series of N-substituted aminomethylphenol derivatives was synthesized by reductive amination. To study the inhibitory potency of the target compounds at the murine GABA transporters (mGAT1-mGAT4), a [H-3]GABA uptake test system in a 96-well format based on HEK cells stably expressing mGAT1-mGAT4 was established and validated. Inhibitory potencies at mGAT1-mGAT4 in the micromolar range and a slight subtype selectivity for mGAT3 were observed for the synthesized aminomethylphenol derivatives. Among the compounds investigated 5-n-dodecylaminomethyl-2-methoxyphenol (21) was found to be most potent with an IC50 value at mGAT3 of about 3 mu M. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.01.005

文献信息

• Synthesis and biological evaluation of aminomethylphenol derivatives as inhibitors of the murine GABA transporters mGAT1–mGAT4
  作者：Andrea Kragler、Georg Höfner、Klaus T. Wanner

  DOI：10.1016/j.ejmech.2008.01.005

  日期：2008.11

  A series of N-substituted aminomethylphenol derivatives was synthesized by reductive amination. To study the inhibitory potency of the target compounds at the murine GABA transporters (mGAT1-mGAT4), a [H-3]GABA uptake test system in a 96-well format based on HEK cells stably expressing mGAT1-mGAT4 was established and validated. Inhibitory potencies at mGAT1-mGAT4 in the micromolar range and a slight subtype selectivity for mGAT3 were observed for the synthesized aminomethylphenol derivatives. Among the compounds investigated 5-n-dodecylaminomethyl-2-methoxyphenol (21) was found to be most potent with an IC50 value at mGAT3 of about 3 mu M. (C) 2008 Elsevier Masson SAS. All rights reserved.