| 1344716-88-6

• 分子结构分类: 有机化合物 - 苯类化合物
• CAS: 1344716-88-6
• 化学式: C₆₂H₈₀N₈O₁₄
• 分子量: 1161.36
• InChiKey: COVFBIOXMOLZDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.83
• 重原子数：
  84.0
• 可旋转键数：
  22.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  286.28
• 氢给体数：
  6.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  、 三氟乙酸 反应 2.0h， 以98%的产率得到5-amino-N-[3-[18-[3-[[5-amino-4-(aminomethyl)pentanoyl]amino]propyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]propyl]-4-(aminomethyl)pentanamide;2,2,2-trifluoroacetic acid
  参考文献：
  名称：

  Utilizing G-quadruplex formation to target 8-oxoguanine in telomeric sequences

  摘要：

  Utilizing G-quadruplex specific ligands that can induce/bind G-quadruplex DNA in human telomeric regions has recently become an attractive means for cancer chemotherapy because the formation of G-quadruplex structures inhibits the activity of telomerase, a reverse transcriptase mainly expressed in cancer cells. In the present work, we synthesized a type of bifunctional molecules that selectively bind to telomeric DNA via G-quadruplex formation and subsequently react with proximate OxodG in the presence of one-electron oxidant. Such molecules could be useful for telomerase inhibition. Perylene derivatives (7 and 9) containing 1,3-diamino moieties were prepared for demonstration. The binding of 7 with G-quadruplex DNA was determined using UV thermal denaturation and the corresponding binding constant was derived from UV titration. The interactions of 7 with G-quadruplex DNA containing OxodG were characterized using circular dichroism. Gel electrophoresis revealed that 7 can form more adducts with OxodG in G-quadruplex regions than that in duplex DNA. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.110
• 作为产物：
  描述：

  5-(氨基甲基)哌啶-2-酮 在 盐酸 、 水 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Utilizing G-quadruplex formation to target 8-oxoguanine in telomeric sequences

  摘要：

  Utilizing G-quadruplex specific ligands that can induce/bind G-quadruplex DNA in human telomeric regions has recently become an attractive means for cancer chemotherapy because the formation of G-quadruplex structures inhibits the activity of telomerase, a reverse transcriptase mainly expressed in cancer cells. In the present work, we synthesized a type of bifunctional molecules that selectively bind to telomeric DNA via G-quadruplex formation and subsequently react with proximate OxodG in the presence of one-electron oxidant. Such molecules could be useful for telomerase inhibition. Perylene derivatives (7 and 9) containing 1,3-diamino moieties were prepared for demonstration. The binding of 7 with G-quadruplex DNA was determined using UV thermal denaturation and the corresponding binding constant was derived from UV titration. The interactions of 7 with G-quadruplex DNA containing OxodG were characterized using circular dichroism. Gel electrophoresis revealed that 7 can form more adducts with OxodG in G-quadruplex regions than that in duplex DNA. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.110