(Z)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (Z)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
• 英文别名: 3-[(5Z)-4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
• 化学式: C₁₆H₁₇NO₃S₂
• 分子量: 335.448
• InChiKey: VMWUFJNJWBGKCB-LCYFTJDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  绕丹宁-3-丙酸 、 4-异丙基苯甲醛 在 sodium acetate 、 溶剂黄146 作用下， 以75%的产率得到(Z)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
  参考文献：
  名称：

  Structure-based design and biological evaluation of inhibitors of the pseudomonas aeruginosa heme oxygenase (pa-HemO)

  摘要：

  DOI：

  10.1016/j.bmcl.2018.02.027

文献信息

• Oxazole and thiazole compounds as beta-catenin modulators and uses thereof
  申请人：Dasgupta Ramanuj

  公开号：US20090227624A1

  公开（公告）日：2009-09-10

  A series of oxazole and thiazole compounds are shown herein to be small molecule inhibitors of the Wnt pathway that specifically target the activity of the stabilized pool of β-cat oxazole and thiazole compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, cancer, and others.
• OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF
  申请人：DASGUPTA Ramanuj

  公开号：US20120264744A1

  公开（公告）日：2012-10-18

  A series of oxazole and thiazole compounds are shown herein to be small molecule inhibitors of the Wnt pathway that specifically target the activity of the stabilized pool of β-catenin. Oxazole and thiazole compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, cancer, and others.
• US8252823B2
  申请人：——

  公开号：US8252823B2

  公开（公告）日：2012-08-28
• US9173871B2
  申请人：——

  公开号：US9173871B2

  公开（公告）日：2015-11-03
• US9206412B2
  申请人：——

  公开号：US9206412B2

  公开（公告）日：2015-12-08