| 868858-12-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• CAS: 868858-12-2
• 化学式: C₆₆H₇₂N₁₄O₁₄
• 分子量: 1285.38
• InChiKey: RFIGHGYWNQZCAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.38
• 重原子数：
  94.0
• 可旋转键数：
  30.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  342.07
• 氢给体数：
  6.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  [(2-{2-[Allyloxycarbonyl-(2-{2-[allyloxycarbonyl-(2-{2-[(2-amino-ethyl)-tert-butoxycarbonyl-amino]-acetylamino}-ethyl)-amino]-acetylamino}-ethyl)-amino]-acetylamino}-ethyl)-tert-butoxycarbonyl-amino]-acetic acid methyl ester; compound with trifluoro-acetic acid 、 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以79%的产率得到
  参考文献：
  名称：

  A cyclic PNA-based compound targeting domain IV of HCV IRES RNA inhibits in vitro IRES-dependent translation

  摘要：

  A cyclic molecule I constituted by a hepta-peptide nucleic acid sequence complementary to the apical loop of domain IV of hepatitis C virus (HCV) internal ribosome entry site (IRES) RNA has been prepared via a 'mixed' liquid-phase strategy, which relies on easily available protected PNA and poly(2-aminoethylglycinamide) building blocks. This compound 1 has been elaborated to mimic 'loop-loop' interactions. For comparison, its linear analog has also been investigated. Although preliminary biological assays have revealed the ability of I to inhibit in vitro the HCV IRES-dependent translation in a dose-dependent manner, the linear analog has shown a slightly higher activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.06.008
• 作为产物：
  描述：

  在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.5h， 以99%的产率得到
  参考文献：
  名称：

  A cyclic PNA-based compound targeting domain IV of HCV IRES RNA inhibits in vitro IRES-dependent translation

  摘要：

  A cyclic molecule I constituted by a hepta-peptide nucleic acid sequence complementary to the apical loop of domain IV of hepatitis C virus (HCV) internal ribosome entry site (IRES) RNA has been prepared via a 'mixed' liquid-phase strategy, which relies on easily available protected PNA and poly(2-aminoethylglycinamide) building blocks. This compound 1 has been elaborated to mimic 'loop-loop' interactions. For comparison, its linear analog has also been investigated. Although preliminary biological assays have revealed the ability of I to inhibit in vitro the HCV IRES-dependent translation in a dose-dependent manner, the linear analog has shown a slightly higher activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.06.008