(thiocarbamoylthio)acetic acid | 29596-83-6

• 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: (thiocarbamoylthio)acetic acid
• 英文别名: Thiocarbamoylmercapto-essigsaeure；thiocarbamoylsulfanyl-acetic acid；S-Thiocarbamoyl-thioglykolsaeure；Thiocarbaminyl-thioglykolsaeure；Thiocarbamoylthioacetic acid；2-carbamothioylsulfanylacetic acid
• CAS: 29596-83-6
• 化学式: C₃H₅NO₂S₂
• 分子量: 151.21
• InChiKey: KXMZHKOZDQLZMO-UHFFFAOYSA-N

物化性质

• 沸点：
  348.2±44.0 °C(Predicted)
• 密度：
  1.586±0.06 g/cm3(Predicted)
• 溶解度：
  0.18 M

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (thiocarbamoylthio)acetic acid 在 一水合肼 作用下， 生成 氨基硫脲
  参考文献：
  名称：

  双吡唑啉：合成，表征和抗厌氧活性作为解组织变形虫的生长的抑制剂。

  摘要：

  在碱性条件下，用N-4取代的硫代氨基脲将查尔酮环化，导致形成新的化合物硫代氨基甲酰基双吡唑啉衍生物。通过UV，IR，1 H NMR，13 C NMR和ESI-MS光谱数据以及热重分析阐明了化合物的结构，并通过元素分析证实了其纯度。这些复合物的antiamoebic活性通过对微量稀释法评估HM1：IMSS的应变阿米巴并将结果与​​标准药物甲硝唑进行比较。结构-活性关系表明，在硫代氨基甲酰基上具有芳香取代基的化合物比具有环状基团的化合物更具活性。但是，从IC 50值可以清楚地看出，化合物15和20具有更高的活性，并且两者都显示出结构相似性，其中吸电子基团连接在苯环上。MTT分析表明所有化合物对人肾上皮细胞系无毒。

  DOI：

  10.1016/j.ejmech.2007.11.005
• 作为产物：
  描述：

  sodium monochloroacetic acid 、 二硫代氨基甲酸铵 在 水 作用下， 生成 (thiocarbamoylthio)acetic acid
  参考文献：
  名称：

  Holmberg, Chemische Berichte, 1906, vol. 39, p. 3069

  摘要：

  DOI：

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。
• 3-(1,3,4-Thiadiazole-2-yl)quinoline derivatives: Synthesis, characterization and anti-microbial activity
  作者：Abdul R. Bhat、Tazeem、Amir Azam、Inho Choi、Fareeda Athar

  DOI：10.1016/j.ejmech.2011.04.013

  日期：2011.7

  A new series of thiadiazoles and intermediate thiosemicarbazones were synthesized from the chloroquinone molecule, with an aim to explore their effect on in vitro growth of microorganisms causing microbial infection. The chemical structures of the compound were elucidated by elemental analysis, FTIR, 1H and 13C NMR and ESI-MS spectral data. In vitro anti-microbial activity was performed against Staphylococcus aureus, Streptococcus pyogenes, Salmonella typhimurium, and Escherichia coli. The MIC was detected using the double dilution method. The results were compared by calculating percent inhibit area/mu g of the compounds and the standard "amoxicillin". The selected compounds were tested for cytotoxic results using MIT assay H9c2 cardiac myoblasts cell line and the results showed that all the compounds offered remarkable >80% viability to a concentration of 200 mu g/mL. (C) 2011 Elsevier Masson SAS. All rights reserved.
• Synthesis and Characterization of a New Series of Hydroxy Pyrazolines
  作者：Humaira Parveen、Prince Firdoos Iqbal、Amir Azam

  DOI：10.1080/00397910802241407

  日期：2008.10.28

  3-Phenyl-1-(thiophen-2-yl)prop-2-en-1-one obtained by Claisen-Schmidt condensation of 2-acetyl thiophene with benzaldehyde was converted into 2,3-dibromo-3-phenyl-1-(thiophen-2-yl)propan-1-one, which on treatment with various thiosemicarbazides in the presence of triethylamine in absolute ethanol, yielded the corresponding hydroxy pyrazolines 3a-h. All the compounds were characterized by IR, (1)H NMR, and (13)C NMR spectra.
• Bis-pyrazolines: Synthesis, characterization and antiamoebic activity as inhibitors of growth of Entamoeba histolytica
  作者：Abdul R. Bhat、Fareeda Athar、Amir Azam

  DOI：10.1016/j.ejmech.2007.11.005

  日期：2009.1

  condition led to the formation of new compounds, thiocarbamoyl bis-pyrazoline derivatives. The structure of the compounds were elucidated by UV, IR, 1H NMR, 13C NMR and ESI-MS spectral data and thermogravimetric analysis, and their purities were confirmed by elemental analyses. The antiamoebic activity of these complexes was evaluated by microdilution method against HM1:IMSS strain of Entamoeba histolytica

  在碱性条件下，用N-4取代的硫代氨基脲将查尔酮环化，导致形成新的化合物硫代氨基甲酰基双吡唑啉衍生物。通过UV，IR，1 H NMR，13 C NMR和ESI-MS光谱数据以及热重分析阐明了化合物的结构，并通过元素分析证实了其纯度。这些复合物的antiamoebic活性通过对微量稀释法评估HM1：IMSS的应变阿米巴并将结果与​​标准药物甲硝唑进行比较。结构-活性关系表明，在硫代氨基甲酰基上具有芳香取代基的化合物比具有环状基团的化合物更具活性。但是，从IC 50值可以清楚地看出，化合物15和20具有更高的活性，并且两者都显示出结构相似性，其中吸电子基团连接在苯环上。MTT分析表明所有化合物对人肾上皮细胞系无毒。
• Holmberg, Chemische Berichte, 1906, vol. 39, p. 3069
  作者：Holmberg

  DOI：——

  日期：——