(Z)-6-methyl-1-((5-methylfuran-2-yl)methylene)-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (Z)-6-methyl-1-((5-methylfuran-2-yl)methylene)-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
• 英文别名: 4-Mercapto-6-methyl-1-((5-methylfuran-2-yl)methylene)furo[3,4-c]pyridin-3(1H)-one；(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
• 化学式: C₁₄H₁₁NO₃S
• 分子量: 273.312
• InChiKey: UCKLIUAJVINKBS-WDZFZDKYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  83.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-chloro-6-methyl-1H-furo<3,4-c>pyridin-3-one 在 哌啶 、 硫脲 作用下， 以 乙醇 、 正丁醇 为溶剂， 反应 10.0h， 生成 (Z)-6-methyl-1-((5-methylfuran-2-yl)methylene)-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
  参考文献：
  名称：

  Kaigorodova, E. A.; Kvak, S. N.; Ugrak, B. I., Russian Journal of Organic Chemistry, 1995, vol. 31, # 12, p. 1650 - 1652

  摘要：

  DOI：

文献信息

• Dihydrofuro[3,4<i>-c</i>]pyridinones as Inhibitors of the Cytolytic Effects of the Pore-Forming Glycoprotein Perforin
  作者：Gersande Lena、Joseph A. Trapani、Vivien R. Sutton、Annette Ciccone、Kylie A. Browne、Mark J. Smyth、William A. Denny、Julie A. Spicer

  DOI：10.1021/jm801063n

  日期：2008.12.11

  Dihydrofuro[3,4-c]pyridinones are the first class of small molecules reported to inhibit the cytolytic effects of the lymphocyte toxin perforin. A lead structure was identified from a high throughput screen, and a series of analogues were designed and prepared to explore structure-activity relationships around the core bicyclic thioxofuropyridinone and pendant furan ring. This resulted in the identification of a submicromolar inhibitor of the perforin-induced lysis of Jurkat T-lymphoma cells.
• Kaigorodova, E. A.; Kvak, S. N.; Ugrak, B. I., Russian Journal of Organic Chemistry, 1995, vol. 31, # 12, p. 1650 - 1652
  作者：Kaigorodova, E. A.、Kvak, S. N.、Ugrak, B. I.、Zaplishnyi, V. N.、Kul'nevich, V. G.

  DOI：——

  日期：——