Diethylcarbamodithioic acid 2-((4-methoxyphenyl)amino)-2-((4-methylphenyl)imino)ethyl ester | 105858-91-1

• 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: Diethylcarbamodithioic acid 2-((4-methoxyphenyl)amino)-2-((4-methylphenyl)imino)ethyl ester
• 英文别名: [2-(4-methoxyanilino)-2-(4-methylphenyl)iminoethyl] N,N-diethylcarbamodithioate
• CAS: 105858-91-1
• 化学式: C₂₁H₂₇N₃OS₂
• 分子量: 401.597
• InChiKey: KQUSNIAIFDOOIX-UHFFFAOYSA-N

物化性质

• 熔点：
  96-97 °C(Solv: 1-butanol (71-36-3))
• 沸点：
  549.4±60.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  94.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  sodium N,N-diethyldithiocarbamate 、 2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)ethanimidamide 以 乙醇 为溶剂， 反应 0.5h， 以58%的产率得到Diethylcarbamodithioic acid 2-((4-methoxyphenyl)amino)-2-((4-methylphenyl)imino)ethyl ester
  参考文献：
  名称：

  S-[(N,N'-Diarylamidino)methyl] diethyldithiocarbamates and related amides as potential radioprotectants

  摘要：

  A series of symmetrically and unsymmetrically N,N'-diaryl-substituted amidinomethyl diethyldithiocarbamates and corresponding amides have been synthesized and tested for potential radioprotective activity. Antiradiation data for 10 amidines are presented. Half of the amidines showed low toxicity and radioprotective activity, based on both protective index (PI) and 30-day survival (greater than 35%) after lethal irradiation (800-rad X-rays). All (N-arylcarbamoyl)methyl diethyldithiocarbamates investigated were nonprotective.

  DOI：

  10.1021/jm00387a024

文献信息

• PANTEV T. P., J. MED. CHEM., 30,(1987) N 4, 720-721
  作者：PANTEV T. P.

  DOI：——

  日期：——
• S-[(N,N'-Diarylamidino)methyl] diethyldithiocarbamates and related amides as potential radioprotectants
  作者：T. Pantev

  DOI：10.1021/jm00387a024

  日期：1987.4

  A series of symmetrically and unsymmetrically N,N'-diaryl-substituted amidinomethyl diethyldithiocarbamates and corresponding amides have been synthesized and tested for potential radioprotective activity. Antiradiation data for 10 amidines are presented. Half of the amidines showed low toxicity and radioprotective activity, based on both protective index (PI) and 30-day survival (greater than 35%) after lethal irradiation (800-rad X-rays). All (N-arylcarbamoyl)methyl diethyldithiocarbamates investigated were nonprotective.