2-methylthio-3-acetyl-5,8-dichloro-4-quinolinone | 1361228-20-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-methylthio-3-acetyl-5,8-dichloro-4-quinolinone
• 英文别名: 3-acetyl-5,8-dichloro-2-methylsulfanyl-1H-quinolin-4-one
• CAS: 1361228-20-7
• 化学式: C₁₂H₉Cl₂NO₂S
• 分子量: 302.181
• InChiKey: IYJPEANWZXEKLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  71.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-methylthio-3-acetyl-5,8-dichloro-4-quinolinone 在 双氧水 作用下， 以 溶剂黄146 为溶剂， 反应 24.0h， 生成 3-acetyl-5,8-dichloro-2-(methylsulfinyl)quinolin-4(1H)-one
  参考文献：
  名称：

  Identification of 3-acyl-2-phenylamino-1,4-dihydroquinolin-4-one derivatives as inhibitors of the phosphatase SerB653 in Porphyromonas gingivalis, implicated in periodontitis

  摘要：

  The serine phosphatase SerB653 plays a crucial role in the infection of Porphyromonas gingivalis, which contributes to the pathogenesis of periodontitis, an inflammatory disease of teeth-supporting tissues. Because functional loss of SerB653 eliminates the virulence of P. gingivalis, SerB653 inhibitors are considered potential periodontitis therapeutic or preventive agents. To identify SerB653 inhibitors with potent anti-periodontitis activity, we conducted a high-throughput screen of a representative 6800-compound subset of a synthetic chemical library of the Korea Chemical Bank (KCB) for compounds with activity against SerB653. The primary screening yielded 150 hits, and subsequent confirmatory studies identified eight compounds, mainly within a single cluster of 3-acyl-2-phenylamino-1,4-dihydroquinolin-4-one derivatives, that showed greater than 50% inhibition of SerB653 activity at a concentration of 50 mu M. A second screening with a focused library identified 10 compounds with IC50 values less than 10 mu M. In antibacterial tests, three of these compounds showed a minimum inhibitory concentration against P. gingivalis growth of 5-50 nM. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.011

文献信息

• ANTICANCER PHARMACEUTICAL COMPOSITION
  申请人：National Cancer Center

  公开号：EP3492082A1

  公开（公告）日：2019-06-05

  The present invention provides a pharmaceutical composition for treating or preventing cancer, containing, as an active ingredient, a compound having a specific chemical structure and an activity of inhibiting the formation of a c-Myc/Max/DNA complex, or a pharmaceutically acceptable salt thereof. The present invention provides a medical use of the pharmaceutical composition, according to the present invention, for treating or preventing cancer. The present invention also provides a method for treating or preventing cancer, comprising administering, to a subject in need of treatment, an effective amount of the compound, the salt thereof, or the composition, according to the present invention, containing both the compound and the salt thereof.

  本发明提供了一种用于治疗或预防癌症的药物组合物，其作为活性成分含有一种具有特定化学结构和抑制 c-Myc/Max/DNA 复合物形成活性的化合物或其药学上可接受的盐。本发明提供了根据本发明的药物组合物治疗或预防癌症的医疗用途。本发明还提供了一种治疗或预防癌症的方法，包括向需要治疗的受试者施用有效量的化合物、其盐或根据本发明的含有化合物及其盐的组合物。
• COMPOUND INHIBITING FORMATION OF C-MYC/MAX/DNA COMPLEX
  申请人：National Cancer Center

  公开号：EP3495350A1

  公开（公告）日：2019-06-12

  The present invention provides a novel compound having a certain chemical structure with the activity of inhibiting the formation of a c-Myc/Max/DNA complex, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有特定化学结构、具有抑制 c-Myc/Max/DNA 复合物形成活性的新型化合物或其药学上可接受的盐。