S-(2-(二甲基氨基)乙基)伪硫脲二盐酸盐 | 17124-82-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫脲类
• 中文名称: S-(2-(二甲基氨基)乙基)伪硫脲二盐酸盐
• 英文名称: nor-dimaprit
• 英文别名: Carbamimidothioic acid, 2-(dimethylamino)ethyl ester；2-(dimethylamino)ethyl carbamimidothioate
• CAS: 17124-82-2
• 化学式: C₅H₁₃N₃S
• 分子量: 147.244
• InChiKey: MUYRPUKYVOXLSN-UHFFFAOYSA-N

物化性质

• 熔点：
  181-182 °C
• 沸点：
  212.7±42.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  78.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  二甲氨基氯乙烷盐酸 、 硫脲 以 乙醇 为溶剂， 生成 S-(2-(二甲基氨基)乙基)伪硫脲二盐酸盐
  参考文献：
  名称：

  Radiation-protective Agents.I. Studies on N-Alkylated-2-(2-aminoethyl)thiopseudoureas and 1, 1-(Dithioethylene)diguanidines

  摘要：

  制备了十种 N-取代的-2-(2-氨基乙基)硫代假脲类化合物（AET）。1'-Phenyl-AET (VI) 与一个当量的碱反应生成 2-氨基噻唑啉衍生物 (XXIII)，而其他在氨基氮上至少有一个氢原子的 AET 则发生分子内重排反应生成 MEG。用这些 MEG 通过温和氧化制备出 GED。此外，还讨论了这些化合物的核磁共振和红外光谱。

  DOI：

  10.1248/cpb.14.1193

文献信息

• Macrocyclic polyamines as a possible chemical model for histamine H2-receptors.
  作者：EIICHI KIMURA、TOHRU KOIKE、MUTSUO KODAMA

  DOI：10.1248/cpb.32.3569

  日期：——

  An 18-membered macrocyclic hexaamine, [18] aneN6, interacts with histamine and its H2-agonist dimaprit at physiological pH to yield stable 1 : 1 complexes with simultaneous liberation of H+, which mimics the histamine H2-receptor-agonist interaction and the resulting gastric acid secretion. The polyamine H2-receptor model does not interact with the histamine H1-agonist 2-pyridylethylamine. Our model does interact with the H2-antagonists cimetidine, metiamide, famotidine and ranitidine to form more stable 1 : 1 complexes than with the H2-agonists, which offers a possible chemical model for the pharmacological ability of the H2-antagonists to competitively block H2-receptors and inhibit the gastric acid secretion induced by histamine. The known structural features distinguishing between histamie H1-and H2-agonist, and between histamine H2-agonist and -antagonist are reevaluated in terms of our model.
• Radiation-protective Agents.I. Studies on N-Alkylated-2-(2-aminoethyl)thiopseudoureas and 1, 1-(Dithioethylene)diguanidines
  作者：Tohru Hino、Katsuko Tana-ami、Kazuko Yamada、Sanya Akaboshi

  DOI：10.1248/cpb.14.1193

  日期：——

  Ten kinds of N-substituted-2-(2-aminoethyl)thiopseudoureas (AETs) were prepared. 1'-Phenyl-AET (VI) gave 2-aminothiazoline derivative (XXIII) with one equivalent of alkali, while other AETs having at least one hydrogen atom at the amino nitrogen underwent intramolecular rearrangement to give MEGs. GEDs were prepared from these MEGs by mild oxidation. The NMR and IR spectra of these compounds were also discussed.

  制备了十种 N-取代的-2-(2-氨基乙基)硫代假脲类化合物（AET）。1'-Phenyl-AET (VI) 与一个当量的碱反应生成 2-氨基噻唑啉衍生物 (XXIII)，而其他在氨基氮上至少有一个氢原子的 AET 则发生分子内重排反应生成 MEG。用这些 MEG 通过温和氧化制备出 GED。此外，还讨论了这些化合物的核磁共振和红外光谱。