5-(1-hydroxy-6,6-dimethyl-hepta-2,4-diynyl)-4-[4-(2-(methoxymethyl)-phenyl)-buta-1,3-diynyl]-thiophene-2-carboxylic acid triisopropylsilyl ester | 1041857-85-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(1-hydroxy-6,6-dimethyl-hepta-2,4-diynyl)-4-[4-(2-(methoxymethyl)-phenyl)-buta-1,3-diynyl]-thiophene-2-carboxylic acid triisopropylsilyl ester
• CAS: 1041857-85-5
• 化学式: C₃₅H₄₂O₄SSi
• 分子量: 586.868
• InChiKey: BDRQFODUKHQKIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.72
• 重原子数：
  41.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-(1-hydroxy-6,6-dimethyl-hepta-2,4-diynyl)-4-[4-(2-(methoxymethyl)-phenyl)-buta-1,3-diynyl]-thiophene-2-carboxylic acid triisopropylsilyl ester 在 甲醇 、 potassium carbonate 作用下， 反应 5.0h， 以85%的产率得到5-(1-hydroxy-6,6-dimethyl-hepta-2,4-diynyl)-4-[4-(2-(methoxymethyl)-phenyl)-buta-1,3-diynyl]-thiophene-2-carboxylic acid
  参考文献：
  名称：

  Synthesis and DNA cleaving activity of water-soluble non-conjugated thienyl tetraynes

  摘要：

  Water-soluble non-conjugated thienyl tetraynes (3-6) were synthesized and their DNA cleaving activity was evaluated using electrophoresis, atomic force microscopy (AFM) and Escherichia coli ( E. coli) transformation techniques. The amino-functionalized compound 4 was shown to possess an activity to cleave plasmid DNA by both electrophoresis and E. coli transformation techniques. AFM also showed a cleavage of the circular DNA into a linear form with a formation of burst-star-shaped architectures, which were envisaged to be cross-linked DNA oligomers. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.04.009
• 作为产物：
  描述：

  5-formyl-4-[4-(2-(methoxymethyl)-phenyl)-buta-1,3-diynyl]-thiophene-2-carboxylic acid triisopropylsilyl ester 、 1-trimethylsilyl-4-t-butyl-1,3-butadiyne 在 甲基锂 作用下， 以 乙醚 为溶剂， 反应 5.0h， 以40%的产率得到5-(1-hydroxy-6,6-dimethyl-hepta-2,4-diynyl)-4-[4-(2-(methoxymethyl)-phenyl)-buta-1,3-diynyl]-thiophene-2-carboxylic acid triisopropylsilyl ester
  参考文献：
  名称：

  Synthesis and DNA cleaving activity of water-soluble non-conjugated thienyl tetraynes

  摘要：

  Water-soluble non-conjugated thienyl tetraynes (3-6) were synthesized and their DNA cleaving activity was evaluated using electrophoresis, atomic force microscopy (AFM) and Escherichia coli ( E. coli) transformation techniques. The amino-functionalized compound 4 was shown to possess an activity to cleave plasmid DNA by both electrophoresis and E. coli transformation techniques. AFM also showed a cleavage of the circular DNA into a linear form with a formation of burst-star-shaped architectures, which were envisaged to be cross-linked DNA oligomers. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.04.009