1-{3-[4-(2-(methoxymethyl)-phenyl)-buta-1,3-diynyl]-thiophen-2-yl}-6,6-dimethyl-hepta-2,4-diyn-1-one | 1041857-67-3

• 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-{3-[4-(2-(methoxymethyl)-phenyl)-buta-1,3-diynyl]-thiophen-2-yl}-6,6-dimethyl-hepta-2,4-diyn-1-one
• CAS: 1041857-67-3
• 化学式: C₂₅H₂₀O₂S
• 分子量: 384.499
• InChiKey: WXLYAVRELQJIPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.53
• 重原子数：
  28.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  1-{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 为溶剂， 反应 15.5h， 以100%的产率得到1-{3-[4-(2-(methoxymethyl)-phenyl)-buta-1,3-diynyl]-thiophen-2-yl}-6,6-dimethyl-hepta-2,4-diyn-1-one
  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