3-Cyclobutene-1,2-dione, 3-hydroxy-4-(1-naphthalenyl)- | 655249-77-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-Cyclobutene-1,2-dione, 3-hydroxy-4-(1-naphthalenyl)-
• 英文别名: 3-hydroxy-4-naphthalen-1-ylcyclobut-3-ene-1,2-dione
• CAS: 655249-77-7
• 化学式: C₁₄H₈O₃
• 分子量: 224.216
• InChiKey: KQRGPGDEJWMPJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-羟环丁-1-烯-3,4-二酮 、 1-萘胺 在 盐酸 、 sodium nitrite 、 sodium acetate 作用下， 以 水 为溶剂， 反应 6.5h， 以20%的产率得到3-Cyclobutene-1,2-dione, 3-hydroxy-4-(1-naphthalenyl)-
  参考文献：
  名称：

  Squaric Acids:  A New Motif for Designing Inhibitors of Protein Tyrosine Phosphatases

  摘要：

  Protein tyrosine phosphatases (PTPases) are important targets in medicinal chemistry. These enzymes play a role in a number of human diseases, including type 11 diabetes and infection by Yersinia pestis, the causative agent of bubonic plague. Derivatives of squaric acids such as 2-aryl-1-hydroxycyclobut-1-ene-3,4-diones represent a new class of monoanionic inhibitors for PTPases.

  DOI：

  10.1021/ol036121w

文献信息

• Squaric Acids:  A New Motif for Designing Inhibitors of Protein Tyrosine Phosphatases
  作者：Jian Xie、Anthony B. Comeau、Christopher T. Seto

  DOI：10.1021/ol036121w

  日期：2004.1.1

  Protein tyrosine phosphatases (PTPases) are important targets in medicinal chemistry. These enzymes play a role in a number of human diseases, including type 11 diabetes and infection by Yersinia pestis, the causative agent of bubonic plague. Derivatives of squaric acids such as 2-aryl-1-hydroxycyclobut-1-ene-3,4-diones represent a new class of monoanionic inhibitors for PTPases.