3-(4-ethoxy-3-fluorophenyl)propanoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-(4-ethoxy-3-fluorophenyl)propanoic acid
• 英文别名: 3-(4-Ethoxy-3-fluorophenyl)propanoic acid
• 化学式: C₁₁H₁₃FO₃
• 分子量: 212.221
• InChiKey: JRGPLCBCWXGYBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(4-ethoxy-3-fluorophenyl)propanoic acid 在 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 1-Cyclopentyl-3-(4-ethoxy-3-fluoro-phenyl)-propan-1-one
  参考文献：
  名称：

  Identification and structure-based optimization of novel dihydropyrones as potent HCV RNA polymerase inhibitors

  摘要：

  A novel class of non-nucleoside HCV NS5B polymerase inhibitors has been identified from screening. A co-crystal structure revealed an allosteric binding site in the protein that required a unique conformational change to accommodate inhibitor binding. Herein we report the structure-activity relationships (SARs) of this novel class of dihydropyrone-containing compounds that show potent inhibitory activities against the HCV RNA polymerase in biochemical assays.

  DOI：

  10.1016/j.bmcl.2006.06.065

文献信息

• [EN] YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4<br/>[FR] INHIBITEURS DE YAP1 CIBLANT L'INTERACTION DE YAP1 AVEC OCT4
  申请人：H LEE MOFFITT CANCER CT & RES

  公开号：WO2019178401A1

  公开（公告）日：2019-09-19

  Binding of the transcriptional co-activator, YAP1, to the transcription factor Oct4, induces Sox2, which is a transcription actor necessary for the self-renewal of stem-like cells from non-small cell lung cancer. The WW domain of YAP1 binds to the PPxY motif of Oct4 to induce Sox2. Delivering a peptide corresponding to the WW domain could prevent the induction of Sox2 and stemness. Similarly, peptides and mimetics of the PPxY motif would be able to inhibit stemness. Disclosed are compounds that affect the Yap1:Oct4 interaction.

  转录共激活因子YAP1与转录因子Oct4的结合会诱导Sox2的表达，Sox2是从非小细胞肺癌干细胞中必需的转录因子。YAP1的WW结构域与Oct4的PPxY基序结合可诱导Sox2的表达。提供了相应的WW结构域肽段可预防Sox2和干性的诱导。同样，PPxY基序的肽段和类似物也能抑制干性。揭示了影响Yap1:Oct4相互作用的化合物。
• YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4
  申请人：H. Lee Moffitt Cancer Center & Research Institute, Inc.

  公开号：EP3765015A1

  公开（公告）日：2021-01-20
• Identification and structure-based optimization of novel dihydropyrones as potent HCV RNA polymerase inhibitors
  作者：Hui Li、John Tatlock、Angelica Linton、Javier Gonzalez、Allen Borchardt、Peter Dragovich、Tanya Jewell、Tom Prins、Ru Zhou、Julie Blazel、Hans Parge、Robert Love、Michael Hickey、Chau Doan、Stephanie Shi、Rohit Duggal、Cristina Lewis、Shella Fuhrman

  DOI：10.1016/j.bmcl.2006.06.065

  日期：2006.9

  A novel class of non-nucleoside HCV NS5B polymerase inhibitors has been identified from screening. A co-crystal structure revealed an allosteric binding site in the protein that required a unique conformational change to accommodate inhibitor binding. Herein we report the structure-activity relationships (SARs) of this novel class of dihydropyrone-containing compounds that show potent inhibitory activities against the HCV RNA polymerase in biochemical assays.