1-{5-((dimethylamino)methyl)-3-[4-(2-(methoxymethyl)phenyl)-buta-1,3-diynyl]-thiophen-2-yl}-6,6-dimethyl-hepta-2,4-diyn-1-ol | 1041857-80-0

• 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: 1-{5-((dimethylamino)methyl)-3-[4-(2-(methoxymethyl)phenyl)-buta-1,3-diynyl]-thiophen-2-yl}-6,6-dimethyl-hepta-2,4-diyn-1-ol
• 英文别名: 1-[5-[(Dimethylamino)methyl]-3-[4-[2-(methoxymethyl)phenyl]buta-1,3-diynyl]thiophen-2-yl]-6,6-dimethylhepta-2,4-diyn-1-ol
• CAS: 1041857-80-0
• 化学式: C₂₈H₂₉NO₂S
• 分子量: 443.61
• InChiKey: XPPGKHJOLWRBEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  60.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-{5-((dimethylamino)methyl)-3-[4-(2-(methoxymethyl)phenyl)-buta-1,3-diynyl]-thiophen-2-yl}-6,6-dimethyl-hepta-2,4-diyn-1-ol 在 manganese(IV) oxide 、 sodium sulfate 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 16.0h， 以56%的产率得到1-{5-((dimethylamino)methyl)-3-[4-(2-(methoxymethyl)phenyl)-buta-1,3-diynyl]-thiophen-2-yl}-6,6-dimethyl-hepta-2,4-diyn-1-one hydrochloride
  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：

  、 1-trimethylsilyl-4-t-butyl-1,3-butadiyne 在 甲基锂 作用下， 以 乙醚 、 四氢呋喃 为溶剂， 反应 5.0h， 以66%的产率得到1-{5-((dimethylamino)methyl)-3-[4-(2-(methoxymethyl)phenyl)-buta-1,3-diynyl]-thiophen-2-yl}-6,6-dimethyl-hepta-2,4-diyn-1-ol
  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