6-bromobenzofuran-2-carbonitrile | 1428230-71-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 6-bromobenzofuran-2-carbonitrile
• 英文别名: 2-cyano-6-bromobenzofuran；6-Bromo-1-benzofuran-2-carbonitrile；6-bromo-1-benzofuran-2-carbonitrile
• CAS: 1428230-71-0
• 化学式: C₉H₄BrNO
• 分子量: 222.041
• InChiKey: RFSLCBCWFDSVMU-UHFFFAOYSA-N

物化性质

• 沸点：
  321.5±22.0 °C(Predicted)
• 密度：
  1.71±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-bromobenzofuran-2-carbonitrile 在 四(三苯基膦)钯 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 tetraphosphorus decasulfide 、 potassium acetate 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 乙二醇二甲醚 、 水 为溶剂， 反应 10.5h， 生成 6-(3,4,5,6-tetrahydropyrimidin-2-yl)-2-{5-[2-(3,4,5,6-tetrahydropyrimidin-2-yl)benzofuran-6-yl]thiophene-2-yl}indole acetic acid
  参考文献：
  名称：

  [EN] ANTIFUNGAL COMPOUNDS
  [FR] COMPOSÉS ANTIFONGIQUES

  摘要：

  公开号：

  WO2013052263A3

文献信息

• [EN] ANTIMICROBIAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIMICROBIENS
  申请人：MICROBIOTIX INC

  公开号：WO2013040528A1

  公开（公告）日：2013-03-21

  The invention provides antimicrobial organic compounds and compositions thereof that kill or inhibit growth of cells of one or more microbial pathogens.

  这项发明提供了抗微生物有机化合物及其组合物，可以杀灭或抑制一种或多种微生物病原体细胞的生长。
• PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND
  申请人：FUJIFILM Corporation

  公开号：EP3604326A1

  公开（公告）日：2020-02-05

  An object of the present invention is to provide a novel cyclic peptide compound excellent in cell membrane permeability, a method for producing the same, a composition for screening use, and a method for selecting a cyclic peptide compound that binds to a target substance. According to the present invention, a peptide compound represented by Formula (1) or a salt thereof is provided. In the formula, the symbols have the meanings as defined in the specification of the present application.

  本发明的目的是提供一种细胞膜渗透性极佳的新型环肽化合物、一种生产该化合物的方法、一种用于筛选的组合物以及一种选择与目标物质结合的环肽化合物的方法。根据本发明，提供了一种由式（1）表示的多肽化合物或其盐。式中的符号具有本申请说明书中定义的含义。
• Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound
  申请人：FUJIFILM Corporation

  公开号：US11319347B2

  公开（公告）日：2022-05-03

  An object of the present invention is to provide a novel cyclic peptide compound excellent in cell membrane permeability, a method for producing the same, a composition for screening use, and a method for selecting a cyclic peptide compound that binds to a target substance. According to the present invention, a peptide compound represented by Formula (1) or a salt thereof is provided. In the formula, the symbols have the meanings as defined in the specification of the present application.

  本发明的目的是提供一种细胞膜渗透性极佳的新型环肽化合物、一种生产该化合物的方法、一种用于筛选的组合物以及一种选择与目标物质结合的环肽化合物的方法。根据本发明，提供了一种由式（1）表示的多肽化合物或其盐。式中的符号具有本申请说明书中定义的含义。
• Synthesis and antifungal evaluation of head-to-head and head-to-tail bisamidine compounds
  作者：Son T. Nguyen、Steven M. Kwasny、Xiaoyuan Ding、John D. Williams、Norton P. Peet、Terry L. Bowlin、Timothy J. Opperman

  DOI：10.1016/j.bmc.2015.07.006

  日期：2015.9

  Herein, we describe the antifungal evaluation of 43 bisamidine compounds, of which 26 are new, having the scaffold [Am]-[HetAr]-[linker]-[HetAr]-[Am], in which [Am] is a cyclic or acyclic amidine group, [linker] is a benzene, pyridine, pyrimidine, pyrazine ring, or an aliphatic chain of two to four carbon, and [HetAr] is a 5,6-bicyclic heterocycle such as indole, benzimidazole, imidazopyridine, benzofuran, or benzothiophene. In the head-to-head series the two [HetAr] units are oriented such that the 5-membered rings are connected through the linker, and in the head-to-tail series, one of the [HetAr] systems is connected through the 6-membered ring; additionally, in some of the head-to-tail compounds, the [linker] is omitted. Many of these compounds exhibited significant antifungal activity against Candida albicans, Candida krusei, Candida glabrata, Candida parapsilosis, and Cryptococcus neoformans (MIC <= 4 mu g/ml). The most potent compounds, for example, P10, P19 and P34, are comparable in antifungal activities to amphotericin B (MIC 0.125 mu g/ml). They exhibited rapid fungicidal activity (>3 log(10) decrease in cfu/ml in 4 h) at concentrations equivalent to 4x the MIC in time kill experiments. The bisamidines strongly inhibited DNA, RNA and cell wall biosynthesis in C. albicans in macromolecular synthesis assays. However, the half-maximal inhibitory concentration for DNA synthesis was approximately 30-fold lower than those for RNA and cell wall biosynthesis. Fluorescence microscopy of intact cells of C. albicans treated with a bisamidine exhibited enhanced fluorescence in the presence of DNA, demonstrating that the bisamidine was localized to the nucleus. The results of this study show that bisamidines are potent antifungal agents with rapid fungicidal activity, which is likely to be the result of their DNA-binding activity. Although it was difficult to obtain a broad-spectrum antifungal compound with low cytotoxicity, some of the compounds (e.g., P9, P14 and P43) exhibited favorable CC50 values against HeLa cells and maintained considerable antifungal activity. (C) 2015 Elsevier Ltd. All rights reserved.
• [EN] ANTIFUNGAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIFONGIQUES
  申请人：MICROBIOTIX INC

  公开号：WO2013052263A3

  公开（公告）日：2013-06-20