2-hexadecylguanidine;nitric acid | 187327-37-3

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: 2-hexadecylguanidine;nitric acid
• CAS: 187327-37-3
• 化学式: C₁₇H₃₇N₃*HNO₃
• 分子量: 346.514
• InChiKey: JFYRCWIACIBZFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24.0
• 可旋转键数：
  15.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  125.27
• 氢给体数：
  4.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-hexadecylguanidine;nitric acid 、 butyl 1-(2'-deoxy-3',5'-di-O-p-toluoyl-α-D-erythropentofuranosyl)-4,5-imidazoledicarboxylate 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以99%的产率得到4,5-dihydro-8H-6-(N-hexadecyl)amino-1-(2'-deoxy-α-D-erythropentofuranosyl)imidazo[4,5-e]diazepine-4,8-dione
  参考文献：
  名称：

  Ring Expanded Nucleoside Analogues Inhibit RNA Helicase and Intracellular Human Immunodeficiency Virus Type 1 Replication

  摘要：

  series of ring expanded nucleoside (REN) analogues were synthesized and screened for inhibition of cellular RNA helicase activity and human immunodeficiency Virus type 1 (HIV-1) replication. We identified two compounds, 1 and 2, that inhibited the ATP dependent activity of human RNA helicase DDX3. Compounds 1 and 2 also Suppressed HIV-I replication in T cells and monocyte-derived macrophages. Neither compound at therapeutic doses was significantly toxic ill ex vivo cell culture or in vivo in mice. Our finding's provide proof-of-concept that a cellular factor, all RNA helicase. Could be targeted for inhibiting HIV-1 replication.

  DOI：

  10.1021/jm800332m
• 作为产物：
  描述：

  十六胺 、 3,5-二甲基吡唑-1-硝酸咪 以 甲醇 为溶剂， 反应 2.0h， 生成 2-hexadecylguanidine;nitric acid
  参考文献：
  名称：

  Ring Expanded Nucleoside Analogues Inhibit RNA Helicase and Intracellular Human Immunodeficiency Virus Type 1 Replication

  摘要：

  series of ring expanded nucleoside (REN) analogues were synthesized and screened for inhibition of cellular RNA helicase activity and human immunodeficiency Virus type 1 (HIV-1) replication. We identified two compounds, 1 and 2, that inhibited the ATP dependent activity of human RNA helicase DDX3. Compounds 1 and 2 also Suppressed HIV-I replication in T cells and monocyte-derived macrophages. Neither compound at therapeutic doses was significantly toxic ill ex vivo cell culture or in vivo in mice. Our finding's provide proof-of-concept that a cellular factor, all RNA helicase. Could be targeted for inhibiting HIV-1 replication.

  DOI：

  10.1021/jm800332m