(R,E)-di-tert-butyl 2-(3-(4-(2-(4-cyano-5-(dicyanomethylene)-2,2-dimethyl-2,5-dihydrofuran-3-yl)vinyl)phenyl)ureido)-n-pentane-1,5-dioate | 1229895-31-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (R,E)-di-tert-butyl 2-(3-(4-(2-(4-cyano-5-(dicyanomethylene)-2,2-dimethyl-2,5-dihydrofuran-3-yl)vinyl)phenyl)ureido)-n-pentane-1,5-dioate
• CAS: 1229895-31-1
• 化学式: C₃₂H₃₇N₅O₆
• 分子量: 587.676
• InChiKey: YUVJPZOLMPIRPI-IGQYLQMFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.58
• 重原子数：
  43.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  174.33
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (R,E)-di-tert-butyl 2-(3-(4-(2-(4-cyano-5-(dicyanomethylene)-2,2-dimethyl-2,5-dihydrofuran-3-yl)vinyl)phenyl)ureido)-n-pentane-1,5-dioate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以98%的产率得到(R,E)-2-(3-(4-(2-(4-cyano-5-(dicyanomethylene)-2,2-dimethyl-2,5-dihydrofuran-3-yl)vinyl)phenyl)ureido)-n-pentane-1,5-dioic acid
  参考文献：
  名称：

  Visible Fluorescence Detection of Type III Protein Secretion from Bacterial Pathogens

  摘要：

  Type III protein secretion is essential for many Gram-negative bacterial infections of host cells and an attractive target for new antibacterial drugs. Here, we describe a bacterial protein effector-carboxypeptidase G2 (CPG2) reporter system for fluorescence and visible detection of type III protein secretion in Salmonella typhimurium. This system provides a general method for measuring protein expression and secretion as well as a high-throughput and quantitative assay for analyzing type III protein secretion inhibitors.

  DOI：

  10.1021/ja102257v
• 作为产物：
  描述：

  三光气 、 D-谷氨酸二叔丁酯盐酸盐 、 (E)-2-(4-(4-aminostyryl)-3-cyano-5,5-dimethylfuran-2(5H)-ylidene)malononitrile 在 吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以84%的产率得到(R,E)-di-tert-butyl 2-(3-(4-(2-(4-cyano-5-(dicyanomethylene)-2,2-dimethyl-2,5-dihydrofuran-3-yl)vinyl)phenyl)ureido)-n-pentane-1,5-dioate
  参考文献：
  名称：

  Visible Fluorescence Detection of Type III Protein Secretion from Bacterial Pathogens

  摘要：

  Type III protein secretion is essential for many Gram-negative bacterial infections of host cells and an attractive target for new antibacterial drugs. Here, we describe a bacterial protein effector-carboxypeptidase G2 (CPG2) reporter system for fluorescence and visible detection of type III protein secretion in Salmonella typhimurium. This system provides a general method for measuring protein expression and secretion as well as a high-throughput and quantitative assay for analyzing type III protein secretion inhibitors.

  DOI：

  10.1021/ja102257v