1,3-双(3,4-二氯苯基)硫脲 | 10220-13-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,3-双(3,4-二氯苯基)硫脲
• 英文名称: 1,3-bis(3,4-dichlorophenyl)-2-thiourea
• 英文别名: 1,3-bis(3,4-dichlorophenyl)thiourea；N,N'-bis-(3,4-dichloro-phenyl)-thiourea；N,N'-Bis-(3,4-dichlor-phenyl)-thioharnstoff；N,N'-bis(3,4-dichlorophenyl)thiourea；3,3',4,4'-Tetrachlorthiocarbanilid；Thiourea, N,N'-bis(3,4-dichlorophenyl)-
• CAS: 10220-13-0
• 化学式: C₁₃H₈Cl₄N₂S
• 分子量: 366.098
• InChiKey: ADTNKNCYYPRXIW-UHFFFAOYSA-N

物化性质

• 熔点：
  162.6-163.5 °C
• 沸点：
  448.3±55.0 °C(Predicted)
• 密度：
  1.623±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.2
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  苯基丙醇水合物 、 1,3-双(3,4-二氯苯基)硫脲 在 盐酸 、 溶剂黄146 作用下， 反应 6.0h， 以52%的产率得到1,3-Bis(3,4-dichlorophenyl)-5-phenyl-2-sulfanylideneimidazolidin-4-one
  参考文献：
  名称：

  1,3,5-三苯基咪唑烷-2,4-二酮和1,3,5-三苯基-2-硫氧代咪唑烷定-4-酮的合成和活性：新的CB1大麻素受体反向激动剂/拮抗剂的表征。

  摘要：

  肥胖和代谢综合症以及药物依赖性（尼古丁，酒精，阿片类药物）是CB（1）大麻素受体拮抗剂和反向激动剂的两个主要治疗应用。在本研究中，我们报告了1,5-二苯基咪唑烷-2,4-二酮和1,3,5-三苯基咪唑烷-2,4-二酮衍生物的合成和结构亲和性关系。这些新的1,3,5-三苯基咪唑烷-2,4-二酮衍生物及其硫代等排物是通过原始途径获得的，并且对人CB（1）大麻素受体表现出令人感兴趣的亲和力和选择性。[[（35）S] -GTPgammaS结合测定揭示了化合物在CB（1）大麻素受体上的反向激动剂特性。此外，进行分子建模研究以描绘该系列衍生物到CB（1）大麻素受体的结合模式。1,3-双（4-溴苯基）-5-苯基咪唑烷-2,4-二酮（25）和1,3-双（4-氯苯基）-5-苯基咪唑烷-2,4-二酮（23）是咪唑烷迄今为止，对人CB（1）大麻素受体具有最高亲和力的-2,4-二酮衍生物。

  DOI：

  10.1021/jm050484f
• 作为产物：
  描述：

  3,4-二氯苯胺 在 二乙烯三胺 作用下， 以 乙醇 为溶剂， 反应 9.0h， 生成 1,3-双(3,4-二氯苯基)硫脲
  参考文献：
  名称：

  Antischistosomal activity of N,N′-arylurea analogs against Schistosoma japonicum

  摘要：

  Although the antischistosomal activities of N,N'-arylurea analogs were reported, systematic structure-activity relationships have not been conducted. In this Letter, we reported the design, synthesis and evaluation of 45 N,N'-arylurea analogs. Among these prepared compounds, 13 compounds were urea linker modified and 32 were N,N'-arylurea derivatives. The activity evaluation revealed 12 analogs exhibited IC50 values lower than 22.6 mu M, and 7 of them had IC50 less than 10 mu M against the juvenile Schistosoma japonicum in vitro. Their worm killing potency was even higher against adult worm. Unfortunately, low to moderate worm burden reduction of 0-33.4% was recorded after administration of a single oral dose of 200 mg/kg or 400 mg/kg to mice harboring S. japonicum. (C) 2016 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2016.01.075

文献信息

• Synthesis, characterization, and pharmacological evaluation of thiourea derivatives
  作者：Sumaira Naz、Muhammad Zahoor、Muhammad Naveed Umar、Saad Alghamdi、Muhammad Umar Khayam Sahibzada、Wasim UlBari

  DOI：10.1515/chem-2020-0139

  日期：2020.6.29

  Abstract Thioureas and their derivatives are organosulfur compounds having applications in numerous fields such as organic synthesis and pharmaceutical industries. Symmetric thiourea derivatives were synthesized by the reaction of various anilines with CS2. The synthesized compounds were characterized using the UV-visible and nuclear magnetic resonance (NMR) spectroscopic techniques. The compounds

  摘要 硫脲及其衍生物是一种有机硫化合物，在有机合成、制药等众多领域都有应用。对称硫脲衍生物是通过各种苯胺与 CS2 的反应合成的。合成的化合物使用紫外-可见光和核磁共振 (NMR) 光谱技术进行表征。筛选了这些化合物对 α-淀粉酶、α-葡萄糖苷酶、乙酰胆碱酯酶 (AChE) 和丁酰胆碱酯酶 (BuChE) 的体外抑制作用以及它们的抗菌和抗氧化潜力。将这些化合物喂给瑞士雄性白化小鼠，以评估它们的毒理学作用和抑制葡萄糖 6-磷酸酶 (G6Pase) 抑制的潜力。抗菌研究表明，化合物 4 对选定的细菌菌株更具活性。化合物 1 对 2,2-diphenyl-1-picrylhydrazyl 和 2,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) 自由基、AChE、BuChE 和 α-葡萄糖苷酶的活性更强。化合物 2 对 α-淀粉酶和
• [3-substituted-2-(substituted imino)-4-oxo-5-thiazolidinylidene]acetic
  申请人：Warner-Lambert Company

  公开号：US04775677A1

  公开（公告）日：1988-10-04

  The present invention provides novel [3-substituted-2-(substituted imino)-4-oxo-5-thiazolidinylidene]acetic acids, and novel pharmaceutical compositions and methods of use thereof. The novel acids of the invention are leukotriene antagonists having activity useful for treating asthma, allergies, cardiovascular diseases, migraines, and inflammation.

  本发明提供了新颖的[3-取代-2-(取代亚胺)-4-氧代-5-噻唑烯基]乙酸，以及新颖的药物组合物和使用方法。该发明的新颖酸是白三烯拮抗剂，具有用于治疗哮喘、过敏、心血管疾病、偏头痛和炎症的活性。
• N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION
  申请人：Aktas Bertal Huseyin

  公开号：US20120115915A1

  公开（公告）日：2012-05-10

  Compositions and methods for inhibiting translation initiation are provided. Compositions, methods and kits for treating (1) cellular proliferative disorders, (2) non-proliferative, degenerative disorders, (3) viral infections, and/or (4) disorders associated with viral infections, using N,N′-diarylureas and/or N,N′-diarylthiourea compounds are described.

  本文提供了抑制翻译起始的组合物和方法。描述了使用N，N'-二芳基脲和/或N，N'-二芳基硫脲化合物治疗（1）细胞增生性疾病，（2）非增生性退行性疾病，（3）病毒感染和/或（4）与病毒感染相关的疾病的组合物、方法和试剂盒。
• Dyson; George; Hunter, Journal of the Chemical Society, 1926, p. 3043
  作者：Dyson、George、Hunter

  DOI：——

  日期：——
• Synthesis of thioureas in ionic liquid medium
  作者：Azim Ziyaei Halimehjani、Fataneh Farahbakhsh

  DOI：10.1080/17415993.2012.739623

  日期：2013.6.1

  A highly efficient procedure for the synthesis of symmetrical thioureas by means of simple condensation of primary amines and carbon disulfide in 1-butyl-3-methylimidazolium chloride [BMIM][Cl] as a cheap and commercially available ionic liquid is presented. This procedure works for aromatic and aliphatic primary amines and give high to excellent yields of symmetrical thioureas without need for any catalyst or tedious work-up.