4-(2,4,5-Trimethoxyphenyl)butan-1-ol | 1222521-24-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(2,4,5-Trimethoxyphenyl)butan-1-ol
• 英文别名: 4-(2,4,5-trimethoxyphenyl)butan-1-ol
• CAS: 1222521-24-5
• 化学式: C₁₃H₂₀O₄
• 分子量: 240.299
• InChiKey: GQJUUHYMIWIUAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2,4,5-Trimethoxyphenyl)butan-1-ol 、 甲基磺酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以98%的产率得到
  参考文献：
  名称：

  Novel Modulator of Na_V1.1 and Na_V1.2 Na⁺ Channels in Rat Neuronal Cells

  摘要：

  A novel modulator of sodium ion currents was synthesized in 6 steps from a protected dihydroxypyrrolidine nitrone, via 1,3-dipolar cycloaddition reaction with acrylamide. Sodium ion currents in 850 cells were evaluated in comparison to saxitoxin and tetrodotoxin and revealed an IC50 of 15.7 mu M. The new compound shows no evidence of binding to the C-lobe of the saxitoxin-binding protein saxiphilin.

  DOI：

  10.1021/ml100035t
• 作为产物：
  描述：

  在 palladium on carbon 、 氢气 作用下， 以 甲醇 为溶剂， 以75%的产率得到4-(2,4,5-Trimethoxyphenyl)butan-1-ol
  参考文献：
  名称：

  Novel Modulator of Na_V1.1 and Na_V1.2 Na⁺ Channels in Rat Neuronal Cells

  摘要：

  A novel modulator of sodium ion currents was synthesized in 6 steps from a protected dihydroxypyrrolidine nitrone, via 1,3-dipolar cycloaddition reaction with acrylamide. Sodium ion currents in 850 cells were evaluated in comparison to saxitoxin and tetrodotoxin and revealed an IC50 of 15.7 mu M. The new compound shows no evidence of binding to the C-lobe of the saxitoxin-binding protein saxiphilin.

  DOI：

  10.1021/ml100035t

文献信息

• Novel Modulator of Na_V1.1 and Na_V1.2 Na⁺ Channels in Rat Neuronal Cells
  作者：Hua Mao、Lynne A. Fieber、Robert E. Gawley

  DOI：10.1021/ml100035t

  日期：2010.6.10

  A novel modulator of sodium ion currents was synthesized in 6 steps from a protected dihydroxypyrrolidine nitrone, via 1,3-dipolar cycloaddition reaction with acrylamide. Sodium ion currents in 850 cells were evaluated in comparison to saxitoxin and tetrodotoxin and revealed an IC50 of 15.7 mu M. The new compound shows no evidence of binding to the C-lobe of the saxitoxin-binding protein saxiphilin.