-essigsaeure | 13037-51-9

• 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: -essigsaeure
• 英文别名: 2-[(4-nitrophenyl)carbamothioylsulfanyl]acetic acid
• CAS: 13037-51-9
• 化学式: C₉H₈N₂O₄S₂
• 分子量: 272.306
• InChiKey: HGQGGHVXXAVHSO-UHFFFAOYSA-N

物化性质

• 沸点：
  478.8±55.0 °C(Predicted)
• 密度：
  1.627±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  153
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  -essigsaeure 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 1-((2-chloroquinolin-3-yl)methylene)-4-p-nitrophenylthiosemicarbazide
  参考文献：
  名称：

  3-(1,3,4-Thiadiazole-2-yl)quinoline derivatives: Synthesis, characterization and anti-microbial activity

  摘要：

  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.

  DOI：

  10.1016/j.ejmech.2011.04.013
• 作为产物：
  描述：

  二硫化碳 、 sodium monochloroacetic acid 、 4-硝基苯胺 在 氢氧化钾 作用下， 生成 -essigsaeure
  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

文献信息

• 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。
• 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.