tri-tert-butyl ((((4,8,12-trioxo-3,7,11-triaza-1,5,9(2,5)-trifuranacyclododecaphane-13,54,94-triyl)tris(methylene))tris(azanediyl))tris(3-oxopropane-3,1-diyl))tricarbamate | 1242182-26-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tri-tert-butyl ((((4,8,12-trioxo-3,7,11-triaza-1,5,9(2,5)-trifuranacyclododecaphane-13,54,94-triyl)tris(methylene))tris(azanediyl))tris(3-oxopropane-3,1-diyl))tricarbamate
• CAS: 1242182-26-8
• 化学式: C₄₅H₆₃N₉O₁₅
• 分子量: 970.047
• InChiKey: RAXVWUWHBZQEGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.16
• 重原子数：
  69.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  329.01
• 氢给体数：
  9.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  tri-tert-butyl ((((4,8,12-trioxo-3,7,11-triaza-1,5,9(2,5)-trifuranacyclododecaphane-13,54,94-triyl)tris(methylene))tris(azanediyl))tris(3-oxopropane-3,1-diyl))tricarbamate 、 三氟乙酸 以 二氯甲烷 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Furan based cyclic homo-oligopeptides bind G-quadruplex selectively and repress c-MYC transcription

  摘要：

  We demonstrate the synthesis and selective binding of two novel furan based tricyclic homo-oligopeptides to G-quadruplex and using Real Time PCR show its repressive effect on c-MYC transcription. CD spectroscopy and FRET melting studies show that these ligands can induce G-quadruplex structures in the G rich 22 mer c-MYC DNA sequence and further stabilize the structure. Using real time polymerase chain reaction we observed that up to 70% downregulation of c-MYC transcripts upon ligand treatment in HeLa cells. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.080
• 作为产物：
  描述：

  Boc-beta-丙氨酸 、 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 、 二氯甲烷 为溶剂， 反应 12.25h， 以86%的产率得到tri-tert-butyl ((((4,8,12-trioxo-3,7,11-triaza-1,5,9(2,5)-trifuranacyclododecaphane-13,54,94-triyl)tris(methylene))tris(azanediyl))tris(3-oxopropane-3,1-diyl))tricarbamate
  参考文献：
  名称：

  Furan based cyclic homo-oligopeptides bind G-quadruplex selectively and repress c-MYC transcription

  摘要：

  We demonstrate the synthesis and selective binding of two novel furan based tricyclic homo-oligopeptides to G-quadruplex and using Real Time PCR show its repressive effect on c-MYC transcription. CD spectroscopy and FRET melting studies show that these ligands can induce G-quadruplex structures in the G rich 22 mer c-MYC DNA sequence and further stabilize the structure. Using real time polymerase chain reaction we observed that up to 70% downregulation of c-MYC transcripts upon ligand treatment in HeLa cells. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.080