[[(二乙基氨基)硫代甲酰]硫代]乙酸 | 5439-93-0

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: [[(二乙基氨基)硫代甲酰]硫代]乙酸
• 英文名称: (N,N-diethylthiocarbamoylthio)acetic acid
• 英文别名: 2-{[(diethylamino)carbothioyl]sulfanyl}ethanoic acid；diethylthiocarbamoylsulfanyl acetic acid；N,N-diethylthiocarbamoylthioacetic acid；diethyldithiocarbamylacetic acid；(diethyl-thiocarbamoylsulfanyl)-acetic acid；diethylthiocarbamoylsulfanyl-acetic acid；(((Diethylamino)thioxomethyl)thio)acetic acid；2-(diethylcarbamothioylsulfanyl)acetic acid
• CAS: 5439-93-0
• 化学式: C₇H₁₃NO₂S₂
• mdl: MFCD00085960
• 分子量: 207.318
• InChiKey: JLMPJCQRACBHOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  97.9
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  [[(二乙基氨基)硫代甲酰]硫代]乙酸 在 五氯化磷 作用下， 生成 2-(diethylamino)-2-oxoethyl diethylcarbamodithioate
  参考文献：
  名称：

  Kuliev; Dzhavadov; Abushova, Journal of applied chemistry of the USSR, 1987, vol. 60, # 1 pt 2, p. 160 - 163

  摘要：

  DOI：
• 作为产物：
  描述：

  sodium monochloroacetic acid 、 sodium N,N-diethyldithiocarbamate 在 盐酸 作用下， 以 水 、 苯 为溶剂， 反应 5.0h， 以86%的产率得到[[(二乙基氨基)硫代甲酰]硫代]乙酸
  参考文献：
  名称：

  Kuliev; Dzhavadov; Abushova, Journal of applied chemistry of the USSR, 1987, vol. 60, # 1 pt 2, p. 160 - 163

  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。
• Organotin esters of dithiocarbamylacetic acids
  作者：Seik Weng Ng、V.G. Kumar Das

  DOI：10.1016/0022-328x(91)86139-h

  日期：1991.5

  carboxylate-bridged structure with trans-C3SnO2 trigonal bipyramidal geometry at tin. The diorganotin dithiocarbamylacetates also adopt a bridged structure with a trans-C2SnO4 octahedral geometry at tin. The triorganotin esters dissociate into four-coordinate species in solution, as revelaed by NMR (1H and 13C) spectral data. The tri-cyclohexyltin esters, however, are four-coordinate monomers in the solid state and

  十二二和三有机锡的通式为R的dithiocarbamylacetic酸衍生物Ñ的Sn（O 2 CCH 2 š 2 CNR' 2）4- Ñ（R = Me中，Ñ卜，Ç己烷中，Ph; NR' 2 = NME 2制备NEt 2，N（CH 2）4，N（CH 2 CH 2）2 O；n＝ 3，2）。根据IR和Mössbauer光谱数据，将三甲基，三正丁基和三苯基锡衍生物分配为具有反式的羧酸桥结构-C 3 SnO 2在锡处的三角双锥几何形状。二有机锡二硫代氨基甲酸酯也采用在锡处具有反式-C 2 SnO 4八面体几何形状的桥联结构。NMR（1 H和13 C）光谱数据表明，三有机锡酸酯在溶液中解离为四配位物质。然而，三环己基锡酯是固态和溶液形式的四配位单体。三个distannoxanes，[（R“ 2的SnO 2 CCH 2小号2 CN-ME 2）O 2 ] 2（R” 2的Sn =卜在尝试由二有机锡二卤化物制
• Synthesis and in vitro antiprotozoal activity of 5-nitrothiophene-2-carboxaldehyde thiosemicarbazone derivatives
  作者：Neelam Bharti、Kakul Husain、M.T Gonzalez Garza、Delia E Cruz-Vega、J Castro-Garza、Benito D Mata-Cardenas、Fehmida Naqvi、Amir Azam

  DOI：10.1016/s0960-894x(02)00703-5

  日期：2002.12

  Several thiosemicarbazone derivatives of 5-nitrothiophene-2-carboxaldehyde were prepared by the simple process in which N(4)-thiosemicarbazone moiety was replaced by aliphatic, arylic and cyclic amine. Among these thiosemicarbazones compound 11 showed significant antiamoebic activity whereas compound 3 was more active antitrichomonal than the reference drug.

  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。
• Photochemical and thermal transformations of carboxylic dithiocarbamic anhydrides and acyl xanthates
  作者：S.N. Singh、M.V. George

  DOI：10.1016/0040-4020(75)80192-x

  日期：1975.1

  tyl chloride and triphenylacetyl chloride. Photolysis of dithiocarbamic anhydrides gave a mixture of products consisting of 1,2-dichlorotetraphenylethane, carbon monoxide and the corresponding thiocarbamoyl sulfides. Acyl xanthates, on the other hand, gave carbon monoxide and the corresponding substituted ethane derivatives. When dithiocarbamic anhydrides were refluxed in hydroxylic solvents such as

  二苯基氯乙酰氯与不同的二硫代氨基甲酸酯反应得到相应的二硫代氨基甲酸酐。在类似条件下，二硫代氨基甲酸酯与苯基氯乙酰氯和氯乙酰氯的反应分别形成二硫代氨基甲酸酯基乙酸和二硫代氨基甲酸酯基乙酸。O-乙基S-酰基黄原酸酯是由O-乙基黄原酸钾与二苯基乙酰氯，二苯基氯乙酰氯，环戊基苯基乙酰氯和三苯基乙酰氯反应形成的。二硫代氨基甲酸酐的光解得到由1，2-二氯四苯基乙烷，一氧化碳和相应的硫代氨基甲酰基硫化物组成的产物的混合物。另一方面，酰基黄药产生一氧化碳和相应的取代的乙烷衍生物。当二硫代氨基甲酸酐在羟基溶剂如甲醇，乙醇和正丙醇中回流时，形成了相应的二硫代氨基甲酸酯乙酸酯。酰基黄药的热分解得到二硫化碳和相应的酯。
• Synthesis of a new series of dithiocarbamate-linked peptidomimetics and their application in Ugi reactions
  作者：Azim Ziyaei Halimehjani、Mohammad Amin Ranjbari、Hamed Pasha Zanussi

  DOI：10.1039/c3ra44552f

  日期：——

  Novel peptidomimetics containing dithiocarbamate groups were synthesized via the Ugi reaction. Also, dithiocarbamates of natural amino acids were prepared and were used successfully in Ugi reactions to prepare novel peptidomimetics bearing amino acid and dithiocarbamate groups in a single structure. In addition the prepared dithiocarbamates based on amino acids are converted to the corresponding amides

  通过Ugi反应合成了含有二硫代氨基甲酸酯基团的新型拟肽。此外，还制备了天然氨基酸的二硫代氨基甲酸酯，并将其成功用于Ugi反应中，以制备具有单一结构的氨基酸和二硫代氨基甲酸酯基团的新型拟肽。另外，将基于氨基酸制备的二硫代氨基甲酸酯转化为相应的酰胺。