BrCl-flav | 1609114-02-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: BrCl-flav
• 英文别名: [8-bromo-4-(4-chlorophenyl)-4H-[1,3]dithiolo[4,5-c]chromen-2-ylidene]-diethylazanium;tetrafluoroborate
• CAS: 1609114-02-4
• 化学式: BF₄*C₂₀H₁₈BrClNOS₂
• 分子量: 554.663
• InChiKey: DKKOSXUVNQUCHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.49
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  62.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4,4'-((4-chlorophenyl)methylene)dimorpholine 在 硫酸 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 2.17h， 生成 BrCl-flav
  参考文献：
  名称：

  The antibacterial properties of sulfur containing flavonoids

  摘要：

  Some dithiocarbamic esters bearing a flavanone backbone, as well as their corresponding 1,3-dithiolium salts were tested against Staphylococcus aureus and Escherichia coli. The 1,3-dithiolium tricyclic flavonoids display good inhibitory properties against both Gram-positive and Gram-negative pathogens. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.03.071

文献信息

• The Cytotoxic Properties of Some Tricyclic 1,3-Dithiolium Flavonoids
  作者：Laura G. Sarbu、Sergiu Shova、Dragos Peptanariu、Isabela A. Sandu、Lucian M. Birsa、Lucian G. Bahrin

  DOI：10.3390/molecules24132459

  日期：——

  needed. In this paper, we present the cytotoxic effects of five tricyclic flavonoids, one of which was previously identified as a potent antimicrobial agent. Methods: All five derivatives were tested against human HOS and MCF7 cancer cell lines using a wound scratch assay. The cytotoxic properties of previously reported flavonoid 4a were also evaluated using the standard MTS (3-(4,5-dimethylthiazol-2

  背景：由于多重耐药微生物的出现，需要新型抗生素。在本文中，我们介绍了五种三环类黄酮的细胞毒性作用，其中一种以前被确定为有效的抗菌剂。方法：使用伤口划痕试验针对人类 HOS 和 MCF7 癌细胞系测试了所有五种衍生物。还使用标准 MTS (3-(4,5-二甲基噻唑-2-基)-5-(3-羧甲氧基苯基)-2-(4-磺基苯基)-2H-四唑鎓，内盐）和活/死检测，使用 NHDF、HOS 和 MCF7 细胞系。结果：发现所有五种衍生物都在一定程度上抑制癌细胞的增殖。还发现与癌细胞相比，4a 对常规人类细胞的毒性较小。而且，发现 4a 对金黄色葡萄球菌的最低杀菌浓度对任何测试的人类细胞系都是无毒的。结论：衍生物 4a 有可能用作治疗某些微生物的药物。用于对抗肿瘤需要进一步的结构优化。
• The antibacterial properties of sulfur containing flavonoids
  作者：Lucian G. Bahrin、Mircea O. Apostu、Lucian M. Birsa、Marius Stefan

  DOI：10.1016/j.bmcl.2014.03.071

  日期：2014.5

  Some dithiocarbamic esters bearing a flavanone backbone, as well as their corresponding 1,3-dithiolium salts were tested against Staphylococcus aureus and Escherichia coli. The 1,3-dithiolium tricyclic flavonoids display good inhibitory properties against both Gram-positive and Gram-negative pathogens. (C) 2014 Elsevier Ltd. All rights reserved.