N-methyl-N'-4-(1-methylpiperidiyl)amido-3-formyl-4-hydroxybenzoic acid | 217805-71-5

• 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: N-methyl-N'-4-(1-methylpiperidiyl)amido-3-formyl-4-hydroxybenzoic acid
• CAS: 217805-71-5
• 化学式: C₁₅H₂₀N₂O₃
• 分子量: 276.335
• InChiKey: ACXHSVSXQGBSOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.37
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  60.85
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  乙二胺 、 N-methyl-N'-4-(1-methylpiperidiyl)amido-3-formyl-4-hydroxybenzoic acid 以 乙醇 为溶剂， 反应 3.0h， 以71%的产率得到N,N'-bis(N-methyl-N'-4-(1-methylpiperidiyl)amidosalicylidene)ethylenediimine
  参考文献：
  名称：

  Novel Water-Soluble 4,4-Disubstituted Ruthenium(III)-Salen Complexes in DNA Stranded Scission

  摘要：

  AbstractSalen‐type Ru(III) complexes are found to be capable of reacting with physiologically acceptable oxidants. The water solubility and DNA affinity of these Ru(III)‐salen complexes are enhanced by the utilization of a variety of charged groups through the formation of peptide bonds. In the presence of hydrogen peroxide, modified Ru(III)‐salen complexes are capable of nicking DNA. In addition, the reactivity in DNA cleavage increases along with the total number of positive charges retaining in Ru(III)‐salen complexes and less influence in the electronic effect. Using 32P‐end‐labeled oligonucleotides and high resolution polyacrylamide gel electrophoresis, Ru(III)‐salen complexes are found to randomly cleave DNA regardless of the DNA secondary conformation such as bulge, inter‐loop, or double‐stranded regions. The possible reactive species of Ru(III)‐salen complexes in DNA cleavage is considered as the hydroxyl radical and high valent oxoruthenium(IV) species according to the UV titration, quenching studies, and reaction with varied oxidants.

  DOI：

  10.1002/jccs.199800092
• 作为产物：
  描述：

  3-甲酰基-4-羟基苯甲酸 在 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 42.0h， 生成 N-methyl-N'-4-(1-methylpiperidiyl)amido-3-formyl-4-hydroxybenzoic acid
  参考文献：
  名称：

  Novel Water-Soluble 4,4-Disubstituted Ruthenium(III)-Salen Complexes in DNA Stranded Scission

  摘要：

  AbstractSalen‐type Ru(III) complexes are found to be capable of reacting with physiologically acceptable oxidants. The water solubility and DNA affinity of these Ru(III)‐salen complexes are enhanced by the utilization of a variety of charged groups through the formation of peptide bonds. In the presence of hydrogen peroxide, modified Ru(III)‐salen complexes are capable of nicking DNA. In addition, the reactivity in DNA cleavage increases along with the total number of positive charges retaining in Ru(III)‐salen complexes and less influence in the electronic effect. Using 32P‐end‐labeled oligonucleotides and high resolution polyacrylamide gel electrophoresis, Ru(III)‐salen complexes are found to randomly cleave DNA regardless of the DNA secondary conformation such as bulge, inter‐loop, or double‐stranded regions. The possible reactive species of Ru(III)‐salen complexes in DNA cleavage is considered as the hydroxyl radical and high valent oxoruthenium(IV) species according to the UV titration, quenching studies, and reaction with varied oxidants.

  DOI：

  10.1002/jccs.199800092