4-fluorobenzoic acid iodomethyl ester | 1239712-04-9

• 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: 4-fluorobenzoic acid iodomethyl ester
• 英文别名: iodomethyl 4-fluorobenzoate
• CAS: 1239712-04-9
• 化学式: C₈H₆FIO₂
• 分子量: 280.037
• InChiKey: AJUNKPYNEIWUDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-fluorobenzoic acid iodomethyl ester 、 pentachlorophenyl (2E)-3-[4-(Phosphoryldifluoromethyl)phenyl]but-2-enoate 在 sodium hydroxide 、 silver nitrate 作用下， 以 水 、 甲苯 为溶剂， 反应 50.0h， 以61%的产率得到pentachlorophenyl (E)-3-[4-[bis(4-fluorobenzoyloxymethoxyphosphinyl)difluoromethyl]phenyl]but-2-enoate
  参考文献：
  名称：

  [EN] INHIBITORS OF STAT3 AND USES THEREOF
  [FR] INHIBITEURS DU STAT3 ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2010118309A3
• 作为产物：
  描述：

  chloromethyl 4-fluorobenzoate 在 sodium iodide 作用下， 以 丙酮 为溶剂， 以85%的产率得到4-fluorobenzoic acid iodomethyl ester
  参考文献：
  名称：

  [EN] INHIBITORS OF STAT3 AND USES THEREOF
  [FR] INHIBITEURS DU STAT3 ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2010118309A3

文献信息

• INHIBITORS OF STAT3 AND USES THEREOF
  申请人：McMurray John S.

  公开号：US20120035114A1

  公开（公告）日：2012-02-09

  Compounds which inhibit the activity of signal transducer and activator of transcription 3 (STAT3) are provided together with methods of making and using the same. The compounds are designed to bind to the SH2 domain of STAT3, preventing STAT3 from binding to receptors for interleukin-6 family cytokines, growth factors such as the platelet-derived growth factor, the epidermal growth factor, vascular endothelial growth factor, and other signaling molecules such as leptin. Blocking these interactions prevents STAT3 from being phosphorylated on Tyr705, which is required for the dimerization of STAT3, translocation to the nucleus, binding to STAT3 response elements on promotors, and transcription of genes. In addition to these activities, binding to the SH2 domain of STAT3 breaks up pre-formed dimmers, thereby preventing the transcriptional activity of the inhibitor.

  本发明提供了抑制信号转导与激活转录因子3 (STAT3) 活性的化合物，以及制备和使用这些化合物的方法。这些化合物被设计成结合STAT3的SH2结构域，防止STAT3与白细胞介素6家族细胞因子、血小板源性生长因子、表皮生长因子、血管内皮生长因子等生长因子和瘦素等信号分子的受体结合。阻断这些相互作用可防止STAT3在Tyr705位点磷酸化，这是STAT3二聚化、向细胞核转位、结合启动子上的STAT3响应元件和基因转录所必需的。除了这些作用，结合STAT3的SH2结构域还可以分解已形成的二聚体，从而防止抑制剂的转录活性。
• Inhibitors of STAT3 and uses thereof
  申请人：McMurray John S.

  公开号：US08841257B2

  公开（公告）日：2014-09-23

  Compounds which inhibit the activity of signal transducer and activator of transcription 3 (STAT3) are provided together with methods of making and using the same. The compounds are designed to bind to the SH2 domain of STAT3, preventing STAT3 from binding to receptors for interleukin-6 family cytokines, growth factors such as the platelet-derived growth factor, the epidermal growth factor, vascular endothelial growth factor, and other signaling molecules such as leptin. Blocking these interactions prevents STAT3 from being phosphorylated on Tyr705, which is required for the dimerization of STAT3, translocation to the nucleus, binding to STAT3 response elements on promotors, and transcription of genes. In addition to these activities, binding to the SH2 domain of STAT3 breaks up pre-formed dimmers, thereby preventing the transcriptional activity of the inhibitor.

  本发明提供了抑制信号转导和激活转录因子3 (STAT3) 活性的化合物，以及制备和使用这些化合物的方法。这些化合物被设计成结合STAT3的SH2结构域，从而防止STAT3结合白细胞介素6家族细胞因子、血小板源性生长因子、表皮生长因子、血管内皮细胞生长因子等生长因子的受体，以及瘦素等其他信号分子。阻止这些相互作用可以防止STAT3在Tyr705上被磷酸化，这是STAT3二聚化、转位到细胞核、结合于启动子上的STAT3响应元件以及基因转录所必需的。除了这些活性之外，结合到STAT3的SH2结构域还可以破坏预先形成的二聚体，从而防止抑制剂的转录活性。
• A Flexible, Stereoselective Dimethylzinc-Mediated Radical-Anionic Cascade: Dramatic Influence of Additional Lewis Acids
  作者：Julien Maury、Laurence Feray、Patricia Perfetti、Michèle P. Bertrand

  DOI：10.1021/ol101519w

  日期：2010.8.20

  Dimethylzinc-mediated addition of acyloxymethyl radicals to diethyl fumarate led to the highly stereoselective formation of disubstituted gamma-lactones in mean to good yields; this cascade provides a new example of a one-pot process mediated by dimethylzinc involving a tandem radical-anionic reaction; the chemoselectivity of the reaction was totally modified by additional Lewis acids.
• US8841257B2
  申请人：——

  公开号：US8841257B2

  公开（公告）日：2014-09-23