2-Imidazol-1-yl-3-octadecyloxy-propan-1-ol | 179458-15-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-Imidazol-1-yl-3-octadecyloxy-propan-1-ol
• 英文别名: 2-Imidazol-1-yl-3-octadecoxypropan-1-ol
• CAS: 179458-15-2
• 化学式: C₂₄H₄₆N₂O₂
• 分子量: 394.641
• InChiKey: TYCRITKPAVCYKP-UHFFFAOYSA-N

物化性质

• 沸点：
  545.8±40.0 °C(Predicted)
• 密度：
  0.96±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  28
• 可旋转键数：
  21
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  47.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Imidazol-1-yl-3-octadecyloxy-propan-1-ol 以 甲苯 、 乙腈 为溶剂， 反应 96.0h， 生成 CPR 1006
  参考文献：
  名称：

  Imidazole and triazole substituted ether phospholipids: potent antitumor agents

  摘要：

  Two novel ether phospholipids containing an imidazole and a triazole at the C-2 position of the glyceryl chain, respectively, were synthesized and evaluated as antitumor agents. Both compounds inhibited the growth of a number of tumor cell lines in vitro; IC50 values ranged from 1 to 6 mu M for MCF-7, MDA-MB-231, HT-29 and HL-60 tumor cell lines. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00433-2
• 作为产物：
  描述：

  1-O-octadecyl-2-O-p-toluenesulfonyl-3-O-trityl-glycerol 在 对甲苯磺酸 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 反应 56.0h， 生成 2-Imidazol-1-yl-3-octadecyloxy-propan-1-ol
  参考文献：
  名称：

  Imidazole and triazole substituted ether phospholipids: potent antitumor agents

  摘要：

  Two novel ether phospholipids containing an imidazole and a triazole at the C-2 position of the glyceryl chain, respectively, were synthesized and evaluated as antitumor agents. Both compounds inhibited the growth of a number of tumor cell lines in vitro; IC50 values ranged from 1 to 6 mu M for MCF-7, MDA-MB-231, HT-29 and HL-60 tumor cell lines. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00433-2

文献信息

• Imidazole and triazole substituted ether phospholipids: potent antitumor agents
  作者：Haridasan K. Nair、Andrew C. Peterson、Parvin T. Yazdi、Rudolf Franzmair

  DOI：10.1016/s0960-894x(97)00433-2

  日期：1997.9

  Two novel ether phospholipids containing an imidazole and a triazole at the C-2 position of the glyceryl chain, respectively, were synthesized and evaluated as antitumor agents. Both compounds inhibited the growth of a number of tumor cell lines in vitro; IC50 values ranged from 1 to 6 mu M for MCF-7, MDA-MB-231, HT-29 and HL-60 tumor cell lines. (C) 1997 Elsevier Science Ltd.