2-[N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]anilino]-2-oxoacetic acid | 1030598-20-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]anilino]-2-oxoacetic acid
• CAS: 1030598-20-9
• 化学式: C₃₂H₂₀F₁₂N₂O₇S
• 分子量: 804.567
• InChiKey: HROKVLPHZVEVSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  54
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  C₃₃H₂₂F₁₂N₂O₇S 在 氢氧化钾 作用下， 以 四氢呋喃 为溶剂， 以80%的产率得到2-[N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]anilino]-2-oxoacetic acid
  参考文献：
  名称：

  In vitro PAI-1 inhibitory activity of oxalamide derivatives☆

  摘要：

  A number of oxalamide derivatives have been synthesized and evaluated for PAI-1 inhibitory activity. In vitro PAI-1 inhibitory activities of oxalamide derivatives are evaluated by chromogenic assay. Few compounds have shown significant PAI-1 inhibitory activity. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.05.011

文献信息

• In vitro PAI-1 inhibitory activity of oxalamide derivatives☆
  作者：Mukul R. Jain、Shankar Shetty、Ganes Chakrabarti、Vrajesh Pandya、Ajay Sharma、Bhavesh Parmar、Soma Srivastava、Mehul Raviya、Hitesh Soni、Pankaj R. Patel

  DOI：10.1016/j.ejmech.2007.05.011

  日期：2008.4

  A number of oxalamide derivatives have been synthesized and evaluated for PAI-1 inhibitory activity. In vitro PAI-1 inhibitory activities of oxalamide derivatives are evaluated by chromogenic assay. Few compounds have shown significant PAI-1 inhibitory activity. (c) 2007 Elsevier Masson SAS. All rights reserved.