N-methyl-N'-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-N-nitrosourea | 72676-66-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: N-methyl-N'-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-N-nitrosourea
• 英文别名: 1-methyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea
• CAS: 72676-66-5
• 化学式: C₁₃H₁₄N₄O₄
• 分子量: 290.279
• InChiKey: RBFFGGYOUPSCFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  99.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-Methyl-Na(2)-[4-(1-methyl-2,5-dioxo-3-pyrrolidinyl)phenyl]urea 在 甲酸 、 sodium nitrite 作用下， 反应 0.5h， 以37%的产率得到N-methyl-N'-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-N-nitrosourea
  参考文献：
  名称：

  Synthesis and anticancer activity of nitrosourea derivatives of phensuximide

  摘要：

  Nitrosourea derivatives 9--13 which utilize phensuximide (1) as the carrier were synthesized as potential central nervous system antitumor agents. The N-(2-chloroethyl)-N-nitrosourea 13 was active in the mouse ependymoblastoma brain-tumor system, as well as the intraperitoneal L1210 leukemia system.

  DOI：

  10.1021/jm00177a024

文献信息

• CRIDER A. M.; KOLCZYNSKI T. M.; YATES K. M., J. MED. CHEM., 1980, 23, NO 3, 324-326
  作者：CRIDER A. M.、 KOLCZYNSKI T. M.、 YATES K. M.

  DOI：——

  日期：——
• Synthesis and anticancer activity of nitrosourea derivatives of phensuximide
  作者：A. Michael Crider、Thomas M. Kolczynski、Kathleen M. Yates

  DOI：10.1021/jm00177a024

  日期：1980.3

  Nitrosourea derivatives 9--13 which utilize phensuximide (1) as the carrier were synthesized as potential central nervous system antitumor agents. The N-(2-chloroethyl)-N-nitrosourea 13 was active in the mouse ependymoblastoma brain-tumor system, as well as the intraperitoneal L1210 leukemia system.