2-[3-(2-adamantyloxy)-4-methoxyphenyl]-2-(methylamino)acetonitrile | 115897-85-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-[3-(2-adamantyloxy)-4-methoxyphenyl]-2-(methylamino)acetonitrile
• CAS: 115897-85-3
• 化学式: C₂₀H₂₆N₂O₂
• 分子量: 326.439
• InChiKey: YTVDKONVGADFMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  478.8±45.0 °C(predicted)
• 密度：
  1.144±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.68
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  54.28
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-[3-(2-adamantyloxy)-4-methoxyphenyl]-2-(methylamino)acetonitrile 在 二异丁基氢化铝 作用下， 以 甲苯 为溶剂， 反应 4.0h， 生成 1-[3-(2-adamantyloxy)-4-methoxyphenyl]-N-methylethane-1,2-diamine
  参考文献：
  名称：

  Calcium-independent phosphodiesterase inhibitors as putative antidepressants: [3-(bicycloalkyloxy)-4-methoxyphenyl-2-imidazolidinones

  摘要：

  The synthesis and biological properties of a novel series of selective calcium-independent phosphodiesterase inhibitors are described. These compounds also inhibit the specific binding of [H-3]rolipram to rat brain membranes and exhibit efficacy in preclinical models of antidepressant activity in mice, such as reducing immobility in the forced-swim test and reversing reserpine-induced hypothermia. Imidazolidinones 4 and 16 were found to be the most potent compounds studied.

  DOI：

  10.1021/jm00105a045
• 作为产物：
  描述：

  2-金刚烷醇 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 120.0h， 生成 2-[3-(2-adamantyloxy)-4-methoxyphenyl]-2-(methylamino)acetonitrile
  参考文献：
  名称：

  Calcium-independent phosphodiesterase inhibitors as putative antidepressants: [3-(bicycloalkyloxy)-4-methoxyphenyl-2-imidazolidinones

  摘要：

  The synthesis and biological properties of a novel series of selective calcium-independent phosphodiesterase inhibitors are described. These compounds also inhibit the specific binding of [H-3]rolipram to rat brain membranes and exhibit efficacy in preclinical models of antidepressant activity in mice, such as reducing immobility in the forced-swim test and reversing reserpine-induced hypothermia. Imidazolidinones 4 and 16 were found to be the most potent compounds studied.

  DOI：

  10.1021/jm00105a045

文献信息

• SACCOMANO, NICHOLAS A.;VINICK, FREDERIC J.;KOE, KENNETH B.;NIELSEN, JANN +, J. MED. CHEM., 34,(1991) N, C. 291-298
  作者：SACCOMANO, NICHOLAS A.、VINICK, FREDERIC J.、KOE, KENNETH B.、NIELSEN, JANN +

  DOI：——

  日期：——