2-甲基-5-硝基-呋喃-3-羧酸 | 129423-27-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 中文名称: 2-甲基-5-硝基-呋喃-3-羧酸
• 英文名称: 2-methyl-5-nitro-furan-3-carboxylic acid
• 英文别名: 2-Methyl-5-nitro-furan-3-carbonsaeure；2-Methyl-5-nitrofuran-3-carboxylic acid
• CAS: 129423-27-4
• 化学式: C₆H₅NO₅
• mdl: MFCD00092549
• 分子量: 171.109
• InChiKey: NXPDJCKSBLMJII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  96.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-甲基-5-硝基-呋喃-3-羧酸 在 喹啉 、 铜 作用下， 生成 5-硝基-2-甲基呋喃
  参考文献：
  名称：

  Gilman et al., Recueil des Travaux Chimiques des Pays-Bas, 1932, vol. 51, p. 407,409

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基-3-糠酸 在 硝酸 、 乙酸酐 作用下， 生成 2-甲基-5-硝基-呋喃-3-羧酸
  参考文献：
  名称：

  Gilman et al., Recueil des Travaux Chimiques des Pays-Bas, 1932, vol. 51, p. 407,409

  摘要：

  DOI：

文献信息

• Synthesis and evaluation of novel electrophilic nitrofuran carboxamides and carboxylates as radiosensitizers and bioreductively activated cytotoxins
  作者：Matthew A. Naylor、Miriam A. Stephens、Shirley Cole、Michael D. Threadgill、Ian J. Stratford、Peter O'Neill、E. Martin Fielden、Gerald E. Adams

  DOI：10.1021/jm00171a027

  日期：1990.9

  A series of 5-nitrofuran-2- and 3-carboxamides bearing alkylating side-chains has been synthesized and tested for their ability to radiosensitize selectively hypoxic Chinese hamster cells (V79) to the lethal effects of ionizing radiation and also for their ability to act directly and selectively as cytotoxic drugs on hypoxic V79 cells. The compounds were extremely efficient radiosensitizers of such cells in vitro and were more efficient than known nitroimidazoles of similar type. Their efficiencies as radiosensitizers correlated with their high electron affinity (E7(1] as measured by pulse-radiolysis. However the compounds showed little radiosensitizing activity towards KHT sarcomas in C3H mice. The compounds in this series of nitrofurans were generally more toxic towards hypoxic cells than towards oxic cells in vitro but were less effective upon the basis of a differential effect than were similar nitroimidazoles reported previously.
• NAYLOR, MATTHEW A.;STEPHENS, MIRIAM A.;COLE, SHIRLEY;THREADGILL, MICHAEL +, J. MED. CHEM., 33,(1990) N, C. 2508-2513
  作者：NAYLOR, MATTHEW A.、STEPHENS, MIRIAM A.、COLE, SHIRLEY、THREADGILL, MICHAEL +

  DOI：——

  日期：——
• Gilman et al., Recueil des Travaux Chimiques des Pays-Bas, 1932, vol. 51, p. 407,409
  作者：Gilman et al.

  DOI：——

  日期：——