(9ci)-1-(二氯乙酰基)-1H-苯并噻唑 | 198067-01-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 中文名称: (9ci)-1-(二氯乙酰基)-1H-苯并噻唑
• 英文名称: 1-(1H-1,2,3-benzotriazol-1-yl)-2,2-dichloro-1-ethanone
• 英文别名: dichloroacetic acid benzotriazolide；1H-Benzotriazole, 1-(dichloroacetyl)-(9CI)；1-(benzotriazol-1-yl)-2,2-dichloroethanone
• CAS: 198067-01-5
• 化学式: C₈H₅Cl₂N₃O
• mdl: MFCD00034379
• 分子量: 230.053
• InChiKey: BZMPDUUOLZEJCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  47.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  环丙沙星 、 (9ci)-1-(二氯乙酰基)-1H-苯并噻唑 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以88%的产率得到1-cyclopropyl-7-(4-(2,2-dichloroacetyl)piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  参考文献：
  名称：

  Design, synthesis, antimicrobial, and DNA gyrase inhibitory properties of fluoroquinolone–dichloroacetic acid hybrids

  摘要：

  AbstractA series of new fluoroquinolone conjugates 8a–g and 9a–f were synthesized via benzotriazole‐mediated synthetic approach with good yield and purity. Some of the synthesized analogs exhibited significant antibacterial properties against Escherichia coli and Staphylococcus aureus with potency higher than that of the parent drugs through in vitro standard bioassay procedure (conjugates 8c and 8d reveal antimicrobial properties with potency 1.9, 61.9, 20.7 and 2.4, 37.1, 8.3 folds relative to the parent antibiotic 6 against E. coli, S. aureus, and Enterococcus faecalis, respectively). The observed experimental data were supported by enzymatic DNA gyrase inhibitory property. Developed BMLR‐QSAR model validates the observed experimental data and recognizes the parameters responsible for the enhanced antibacterial properties.

  DOI：

  10.1111/cbdd.13638
• 作为产物：
  描述：

  二氯乙酸 、 T406石油添加剂 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以80%的产率得到(9ci)-1-(二氯乙酰基)-1H-苯并噻唑
  参考文献：
  名称：

  Efficient Conversion of Carboxylic Acids intoN-Acylbenzotriazoles

  摘要：

  一种改进的一锅法制备N-酰基苯并三唑的程序涉及温和的反应条件，并允许制备几种之前报告的方法无法获得的衍生物。

  DOI：

  10.1055/s-2003-42462

文献信息

• An Efficient Greener Approach for N-acylation of Amines in Water Using Benzotriazole Chemistry
  作者：Tarek S. Ibrahim、Israa A. Seliem、Siva S. Panda、Amany M. M. Al-Mahmoudy、Zakaria K. M. Abdel-Samii、Nabil A. Alhakamy、Hani Z. Asfour、Mohamed Elagawany

  DOI：10.3390/molecules25112501

  日期：——

  straightforward, mild and cost-efficient synthesis of various arylamides in water was accomplished using versatile benzotriazole chemistry. Acylation of various amines was achieved in water at room temperature as well as under microwave irradiation. The developed protocol unfolds the synthesis of amino acid aryl amides, drug conjugates and benzimidazoles. The environmentally friendly synthesis, short reaction

  使用通用的苯并三唑化学完成了在水中直接、温和且经济高效地合成各种芳基酰胺。在室温下以及在微波辐射下，在水中实现了各种胺的酰化。开发的协议展开了氨基酸芳基酰胺、药物偶联物和苯并咪唑的合成。环保合成、反应时间短、后处理简单、收率高、条件温和、无外消旋化是该协议的主要优点。
• Design, Synthesis, and Molecular Docking Studies of Curcumin Hybrid Conjugates as Potential Therapeutics for Breast Cancer
  作者：Siva S. Panda、Queen L. Tran、Pragya Rajpurohit、Girinath G. Pillai、Sean J. Thomas、Allison E. Bridges、Jason E. Capito、Muthusamy Thangaraju、Bal L. Lokeshwar

  DOI：10.3390/ph15040451

  日期：——

  with CMC1 and CMC2 significantly reduced the growth and clonogenic survival by colony-formation assays in several human breast cancer cells (BC). Treatment by oral gavage of a transgenic mouse BC and metastatic BC tumor-bearing mice with CMC2 significantly reduced tumor growth and metastasis. Overall, our study provides strong evidence that CUR and DCA conjugates have a significant anticancer properties

  姜黄素 (CUR) 由于其抗癌、抗炎和抗氧化的特性，在过去的二十年中受到了极大的关注。同样，丙酮酸脱氢酶激酶 1 (PKD1) 抑制剂二氯乙酸 (DCA) 作为一种潜在的抗癌药物受到了广泛关注。然而，这两种药物的临床应用非常有限，因为它们分别具有较差的生物利用度和不请自来的副作用。我们已经合成了 CUR 和 DCA 与氨基酸接头的融合缀合物，以通过利用分子杂交方法克服这些限制。分子对接研究显示了姜黄素修饰偶联物 (CMC) 在乳腺癌细胞中的潜在靶点。我们合成了六种名为CMC1-6 的杂化偶联物. 这六种 CMC 偶联物在体外人类正常永生化乳腺上皮细胞系 (MCF10A) 和体内 C57BL/6 小鼠中未显示任何显着毒性。然而，用CMC1和CMC2治疗显着降低了几个人类乳腺癌细胞 (BC) 中的集落形成试验的生长和克隆形成存活率。用CMC2对转基因小鼠 BC 和转移性 BC 荷瘤小鼠进行口服
• NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY
  申请人：Asahi Kasei Kabushiki Kaisha

  公开号：EP3279997A1

  公开（公告）日：2018-02-07

  The purpose of the present invention is to provide a nonaqueous electrolyte that contains acetonitrile having an excellent balance between viscosity and the dielectric constant and a fluorine-containing inorganic lithium salt, wherein the generation of complex cations comprising a transition metal and acetonitrile is suppressed, excellent load characteristics are exhibited, and increases in internal resistance upon repeated charge/discharge cycles are suppressed; a further purpose of the present invention is to provide a nonaqueous secondary battery. The present invention relates to a nonaqueous electrolyte which contains: a nonaqueous solvent comprising acetonitrile; a fluorine-containing inorganic lithium salt; and a specific nitrogenous cyclic compound typified by benzotriazole.

  本发明的目的是提供一种非水电解液，该电解液含有在粘度和介电常数之间具有极佳平衡的乙腈和含氟无机锂盐，其中包含过渡金属和乙腈的复合阳离子的生成受到抑制，显示出极佳的负载特性，并且在重复充放电循环中内阻的增加受到抑制；本发明的另一个目的是提供一种非水二次电池。本发明涉及一种非水电解液，其中包含：由乙腈组成的非水溶剂；含氟无机锂盐；以及以苯并三唑为典型代表的特定含氮环状化合物。
• HYBRID CURCUMIN CONJUGATES AND METHODS OF USE THEREOF
  申请人：AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC.

  公开号：US20220152211A1

  公开（公告）日：2022-05-19

  Hybrid curcumin-based conjugates and methods of use thereof are provided. Pharmaceutical compositions including an effective amount of one or more curcumin conjugates are also provided. In particular embodiments, the compositions are formulated for oral delivery. The conjugates and pharmaceutical compositions thereof can be administered to a subject in need thereof to treat cancer.
• Design, synthesis, antimicrobial, and DNA gyrase inhibitory properties of fluoroquinolone–dichloroacetic acid hybrids
  作者：Israa A. Seliem、Siva S. Panda、Adel S. Girgis、Yosra I. Nagy、Riham F. George、Walid Fayad、Nehmedo G. Fawzy、Tarek S. Ibrahim、Amany M. M. Al‐Mahmoudy、Rajeev Sakhuja、Zakaria K. M. Abdel‐samii

  DOI：10.1111/cbdd.13638

  日期：2020.2

  AbstractA series of new fluoroquinolone conjugates 8a–g and 9a–f were synthesized via benzotriazole‐mediated synthetic approach with good yield and purity. Some of the synthesized analogs exhibited significant antibacterial properties against Escherichia coli and Staphylococcus aureus with potency higher than that of the parent drugs through in vitro standard bioassay procedure (conjugates 8c and 8d reveal antimicrobial properties with potency 1.9, 61.9, 20.7 and 2.4, 37.1, 8.3 folds relative to the parent antibiotic 6 against E. coli, S. aureus, and Enterococcus faecalis, respectively). The observed experimental data were supported by enzymatic DNA gyrase inhibitory property. Developed BMLR‐QSAR model validates the observed experimental data and recognizes the parameters responsible for the enhanced antibacterial properties.