4-[4-(4-Fluorophenyl)piperazin-1-yl]-4-oxobutanoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-[4-(4-Fluorophenyl)piperazin-1-yl]-4-oxobutanoic acid
• 化学式: C₁₄H₁₇FN₂O₃
• mdl: MFCD01356107
• 分子量: 280.29
• InChiKey: JCLJIIGKSJEXHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  60.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER
  申请人：Wu Jie

  公开号：US20120034186A1

  公开（公告）日：2012-02-09

  Protein tyrosine phosphatase (PTP) Shp2 is a non-receptor PTP that involved in cell signaling and regulation of cell proliferation, differentiation, and migration. Shp2 mediates activation of kinases that are involved in the pathogenesis of human carcinoma. A high throughput screen identified compounds that inhibit the PTP Shp2. Several compounds were identified that selectively inhibit Shp2 over Shp1 with low to sub-micromolar activity. Also disclosed are methods of inhibiting a protein tyrosine phosphatase in a cell and treating cancer through selective inhibition of Shp2.
• US8623906B2
  申请人：——

  公开号：US8623906B2

  公开（公告）日：2014-01-07