N-Isopropyl-thiocarbamoylmercaptoessigsaeure | 21184-92-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: N-Isopropyl-thiocarbamoylmercaptoessigsaeure
• 英文别名: 2-(propan-2-ylcarbamothioylsulfanyl)acetic acid
• CAS: 21184-92-9
• 化学式: C₆H₁₁NO₂S₂
• 分子量: 193.291
• InChiKey: OBWVCUHUUZUICP-UHFFFAOYSA-N

物化性质

• 沸点：
  312.7±44.0 °C(Predicted)
• 密度：
  1.285±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.09
• 重原子数：
  11.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  49.33
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-Isopropyl-thiocarbamoylmercaptoessigsaeure 在 一水合肼 作用下， 生成 4-异丙基-3-氨基硫脲
  参考文献：
  名称：

  5-硝基噻吩-2-甲醛甲醛缩氨基脲衍生物的合成及体外抗原生动物活性。

  摘要：

  通过简单的方法制备了5-硝基噻吩-2-甲醛的几种硫半脲衍生物，其中N（4）-硫半脲部分被脂族，芳基和环状胺取代。在这些硫代半咔唑化合物中，化合物11显示出显着的抗阿米巴活性，而化合物3比参考药物具有更高的抗滴虫活性。

  DOI：

  10.1016/s0960-894x(02)00703-5
• 作为产物：
  描述：

  二硫化碳 、 sodium monochloroacetic acid 、 异丙胺 在 氢氧化钾 、 盐酸 作用下， 生成 N-Isopropyl-thiocarbamoylmercaptoessigsaeure
  参考文献：
  名称：

  5-硝基噻吩-2-甲醛甲醛缩氨基脲衍生物的合成及体外抗原生动物活性。

  摘要：

  通过简单的方法制备了5-硝基噻吩-2-甲醛的几种硫半脲衍生物，其中N（4）-硫半脲部分被脂族，芳基和环状胺取代。在这些硫代半咔唑化合物中，化合物11显示出显着的抗阿米巴活性，而化合物3比参考药物具有更高的抗滴虫活性。

  DOI：

  10.1016/s0960-894x(02)00703-5

文献信息

• Synthesis, Characterization and Biological Evaluation of Novel 1-N-Substituted Thiocarbomoyl-3-ferrocenyl-2-pyrazoline Derivatives
  作者：Humaira Parveen、Raedah Aiyed Suliman Alatawi、Salman Ahmad Khan、Mohammed Issa Al-Ahmdi、Sayeed Mukhtar、Amir Azam、Nadia H. Elsayed

  DOI：10.14233/ajchem.2016.19851

  日期：——

  Some novel 1-N-substituted thiocarbomoyl-3-ferrocenyl-2-pyrazoline derivatives were synthesized and evaluated for in vitro antiamoebic activity against HM1:IMSS strain of Entamoeba histolytica. The results showed that most of the compounds exhibited promising activity (IC50 values in the range of 0.050-1.683 μM) than the reference drug metronidazole (IC50 = 1.78 μM). Active compounds were further screened for cytotoxicity against human embryonic kidney-293 (HEK-293) normal cell lines to ensure their toxic effect and the results revealed that active compounds were least toxic in the concentration range of 2.5-50 μM for 48 h and 2.5-25 μM for 72 h. At 100 μM for 48 h and at 50 μM for 72 h only four compounds 2c, 2h, 2k and 2l showed maximum viability and least cytotoxicity, respectively, concluding that all the screened compounds were least cytotoxic against human embryonic kidney-293 (HEK-293) normal cell lines in the concentration range of 2.5-50 and 2.5-25 μM.

  合成了一些新颖的1-N-取代硫代碳酰基-3-二茂铁基-2-吡唑啉衍生物，并评估了它们对Entamoeba histolytica的HM1:IMSS株的体外抗阿米巴活动。结果显示，多数化合物表现出比参考药物甲硝唑（IC50 = 1.78 μM）更有前景的活性（IC50值范围为0.050-1.683 μM）。进一步筛选活性化合物对人类胚胎肾-293（HEK-293）正常细胞系的细胞毒性，以确保其毒性效应，结果显示活性化合物在2.5-50 μM浓度范围内48小时和2.5-25 μM浓度范围内72小时内的毒性最小。在100 μM浓度下48小时和50 μM浓度下72小时，只有四种化合物2c、2h、2k和2l显示出最大的存活率和最小的细胞毒性，结论是所有筛选的化合物在2.5-50和2.5-25 μM浓度范围内对人类胚胎肾-293（HEK-293）正常细胞系的细胞毒性最小。
• Jensen,K.A. et al., Acta Chemica Scandinavica (1947), 1968, vol. 22, p. 1 - 50
  作者：Jensen,K.A. et al.

  DOI：——

  日期：——
• Synthesis and antiamoebic activity of 3,7-dimethyl-pyrazolo[3,4-e][1,2,4] triazin-4-yl thiosemicarbazide derivatives
  作者：Shailendra Singh、Kakul Husain、Fareeda Athar、Amir Azam

  DOI：10.1016/j.ejps.2005.02.014

  日期：2005.6

  A series of 3,7-dimethyl-pyrazolo[3,4-e] [ 1,2,4]triazin-4-yl thiosemicarbazide derivatives 3-22 were prepared and evaluated in vitro against HMI:IMSS strain of Entamoeba histolytica, to identify the compounds for antiamoebic activity. They exhibited antiamoebic activity in the range (IC50 = 0.81-7.31 mu M). The results were compared to the activity of known drug metronidazole. It is inferred from the in vitro studies that the compounds 10, 11. 17 and 18 were found to be significantly better inhibitors of E. histolytica since IC50 values in the mu M range elicited by these compounds are much lower than metronidazole. Besides, compounds 11 and 17 have shown the most promising antiamoebic activity (IC50 = 0.81 mu M of 11, IC50 = 0.84 mu M of 17 versus IC50 = 1.81 mu M of metronidazole). The study suggests the possibility of developing triazine analogues as potential drug candidates for antiamoebic activity. (c) 2005 Elsevier B.V. All rights reserved.