1-(3,5-bis(trifluoromethyl)phenyl)-3-ethylthiourea

• 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: 1-(3,5-bis(trifluoromethyl)phenyl)-3-ethylthiourea
• 英文别名: 1-[3,5-Bis(trifluoromethyl)phenyl]-3-ethylthiourea
• 化学式: C₁₁H₁₀F₆N₂S
• 分子量: 316.27
• InChiKey: OQEYNBQAYUMWDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  56.2
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  溴氟乙酸乙酯 、 1-(3,5-bis(trifluoromethyl)phenyl)-3-ethylthiourea 在 三乙胺 作用下， 以 乙醇 为溶剂， 生成 2-(3,5-bis-trifluoromethylphenylimino)-3-ethyl-5-fluorothiazolidin-4-one
  参考文献：
  名称：

  新型氟化噻唑烷-4-酮衍生物：合成及其对 HepG2 和 HCT116 细胞系的抗癌潜力

  摘要：

  设计了一种新的合成路线，将氟官能团引入一系列含有噻唑烷-4-酮环的化合物中。这些化合物是采用两步法从各种苯胺衍生物合成的：异硫氰酸乙酯与不同的芳香族氟化苯胺进行加成反应，然后环化产生最终产品。总共合成了 15 种新型氟化噻唑烷酮化合物，并使用1 H NMR、 19 F NMR、傅里叶变换-红外、元素分析和液相色谱-质谱法进行了表征。使用核奥沃豪塞效应光谱法测定了合成衍生物中亚胺键周围的立体化学。针对两种人类癌细胞系：肝癌细胞 (HepG2) 和结肠癌细胞 (HCT116) 测试了这些化合物的体外抗癌潜力。研究表明，与邻位和对位的衍生物相比，在芳环的间位具有氟官能团的衍生物显示出良好的抗癌潜力。

  DOI：

  10.1071/ch23123
• 作为产物：
  描述：

  3,5-双(三氟甲基)苯基异硫氰酯 、 乙胺盐酸盐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以84%的产率得到1-(3,5-bis(trifluoromethyl)phenyl)-3-ethylthiourea
  参考文献：
  名称：

  Synthesis, antibacterial and anti-MRSA activity, in vivo toxicity and a structure–activity relationship study of a quinoline thiourea

  摘要：

  We report the synthesis, antibacterial evaluation of a series of thiourea-containing compounds. 1-(3,5-Bis (trifluoromethyl) phenyl)-3-((S)-(6-methoxyquinolin-4-yl)-((1S, 2S, 4S, 5R)-5-vinylquinuclidin-2-yl) methyl) thiourea 5, was the most active against a range of Gram-positive and Gram-negative bacteria, and exhibited bacteriostatic activity against methicillin resistant Staphylococcus aureus (MRSA) comparable to that of the well-known antibacterial agent vancomycin. Quinoline thiourea 5 was subjected to a detailed structure-activity relationship study, with 5 and its derivatives evaluated for their bacteriostatic activity against both Gram-negative and Gram-positive bacteria. A number of structural features important for the overall activity of quinoline thiourea 5 have been identified. A selection of compounds, including 5, was also evaluated for their in vivo toxicity using the larvae of the Greater wax moth, Galleria mellonella. Compound 5, and a number of derivatives, were found to be non-toxic to the larvae of Galleria mellonella. A new class of antibiotic can result from the further development of this family of compounds. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.11.058

文献信息

• N-Heterocyclic Phosphines
  申请人：The Board of Regents of the Nevada System of Higher Education on Behalf of the Unive. of Nevada

  公开号：US20180118770A1

  公开（公告）日：2018-05-03

  Provided herein are N-heterocyclic phosphines (NHPs) useful in metal-free phosphorus-carbon bond forming reactions. Methods for preparing vinylphosphonates using NHPs also are provided. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本文提供了一种在无金属条件下进行磷-碳键形成反应中有用的N-杂环膦（NHPs）。还提供了使用NHPs制备乙烯磷酸酯的方法。本摘要旨在作为在特定领域搜索的扫描工具，不限制本发明。
• [EN] SYNTHESIS OF BIS-PEPTIDES OLIGOMERS COMPRISING AT LEAST ONE N-SUBSTITUTED DIKETOPIPERAZINE AS STRUCTURAL MOIETY<br/>[FR] SYNTHÈSE D'OLIGOMÈRES DE BIS-PEPTIDES COMPORTANT AU MOINS UNE DICÉTOPIPÉRAZINE N-SUBSTITUÉE EN TANT QUE GROUPE FONCTIONNEL STRUCTUREL
  申请人：UNIV TEMPLE

  公开号：WO2010009196A1

  公开（公告）日：2010-01-21

  Functionalized bis-peptides as well as other amide-containing compounds are obtained by acylation of hindered amines. The functionalized bis-peptides are useful as shape-programmable nanostructures that are immune to denaturation and that contain arrays of functional groups having designed catalytic, protein-binding and/or sensor capabilities.

  通过酰化难处理胺，获得了功能化的双肽以及其他含酰胺化合物。这些功能化的双肽可用作形状可编程的纳米结构，不易变性，并含有设计的催化、蛋白结合和/或传感器功能的功能团阵列。
• [EN] LINEAR ASSEMBLIES BRANCHED ASSEMBLIES, MACROCYCLES AND COVALENT BUNDLES OF FUNCTIONALIZED BIS-PEPTIDES<br/>[FR] ENSEMBLES LINÉAIRES, ENSEMBLES RAMIFIÉS, MACROCYCLES ET FAISCEAUX COVALENTS DE BIS-PEPTIDES FONCTIONNALISÉS
  申请人：UNIV TEMPLE

  公开号：WO2012158200A1

  公开（公告）日：2012-11-22

  Provided is a macromolecule comprising two or more functionalized bis-peptides connected by one or more linkers, and methods of making thereof. In some embodiments, the functionalized bis-peptides are covalently attached to one or more functionalized bis-peptides to form linear strings of functionalized bis-peptides, macrocycles of functionalized bis-peptides, three-dimensional networks of functionalized bis-peptides, and combinations of any of these. Also provided is a macromolecule comprising two or more bis-peptides connected by one or more linkers, and methods of making thereof. In some embodiments, the bis-peptides comprise non-functionalized bis-peptides, functionalized bis-peptides or a combination of both functionalized and non-functionalized bis-peptides. In some embodiments, the bis-peptides are covalently attached to one or more bis-peptides to form linear strings of bis-peptides, macrocycles of bis-peptides, three-dimensional networks of bis-peptides, and combinations of any of these.

  提供的是一种大分子，包括由两个或更多个经功能化的双肽通过一个或多个连接物连接在一起，并制备方法。在某些实施例中，经功能化的双肽被共价地连接到一个或多个经功能化的双肽上，形成经功能化的双肽的线性链、经功能化的双肽的大环、经功能化的双肽的三维网络，以及这些的任意组合。还提供了一种大分子，包括由两个或更多个双肽通过一个或多个连接物连接在一起，并制备方法。在某些实施例中，双肽包括非功能化的双肽、经功能化的双肽或经功能化和非功能化双肽的组合。在某些实施例中，双肽被共价地连接到一个或多个双肽上，形成双肽的线性链、双肽的大环、双肽的三维网络，以及这些的任意组合。
• N-heterocyclic phosphines
  申请人：The Board of Regents of the Nevada System of Higher Education on Behalf of the University of Nevada, Las Vegas

  公开号：US10633403B2

  公开（公告）日：2020-04-28

  Provided herein are N-heterocyclic phosphines (NHPs) useful in metal-free phosphorus-carbon bond forming reactions. Methods for preparing vinylphosphonates using NHPs also are provided. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本文提供了可用于无金属磷-碳键形成反应的 N-杂环膦（NHPs）。还提供了使用 NHPs 制备乙烯基膦酸盐的方法。本摘要旨在作为一种扫描工具，用于特定技术领域的搜索，而非对本发明的限制。
• Haptens, hapten conjugates, compositions thereof and method for their preparation and use
  申请人：Kosmeder Jerome W.

  公开号：US20080268462A1

  公开（公告）日：2008-10-30

  A method for performing a multiplexed diagnostic assay, such as for two or more different targets in a sample, is described. One embodiment comprised contacting the sample with two or more specific binding moieties that bind specifically to two or more different targets. The two or more specific binding moieties are conjugated to different haptens, and at least one of the haptens is an oxazole, a pyrazole, a thiazole, a nitroaryl compound other than dinitrophenyl, a benzofurazan, a triterpene, a urea, a thiourea, a rotenoid, a coumarin, a cyclolignan, a heterobiaryl, an azo aryl, or a benzodiazepine. The sample is contacted with two or more different anti-hapten antibodies that can be detected separately. The two or more different anti-hapten antibodies may be conjugated to different detectable labels.