5-phenyl-3-(2-pyrazinyl)-1,2,4-oxadiazole | 114346-88-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-phenyl-3-(2-pyrazinyl)-1,2,4-oxadiazole
• 英文别名: 5-Phenyl-3-pyrazin-2-yl-1,2,4-oxadiazole
• CAS: 114346-88-2
• 化学式: C₁₂H₈N₄O
• 分子量: 224.222
• InChiKey: KHGKLZHPSITFSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  [(E)-[amino(pyrazin-2-yl)methylidene]amino] benzoate 以 N,N-二甲基甲酰胺 为溶剂， 200.0 ℃ 、900.01 kPa 条件下， 反应 0.17h， 以48 mg的产率得到5-phenyl-3-(2-pyrazinyl)-1,2,4-oxadiazole
  参考文献：
  名称：

  Rapid Multistep Synthesis of 1,2,4-Oxadiazoles in a Single Continuous Microreactor Sequence

  摘要：

  A general method for the synthesis of bis-substituted 1,2,4-oxadiazoles from readily available aryinitriles and activated carbonyls in a single continuous microreactor sequence is described. The synthesis incorporates three sequential microreactors to produce 1,2,4-oxadiazoles in similar to 30 min in quantities (40-80 mg) sufficient for full characterization and rapid library supply.

  DOI：

  10.1021/jo801152c

文献信息

• COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP4059932A1

  公开（公告）日：2022-09-21

  The present invention relates to pyrazine compounds useful as inhibitors of ATR protein kinase. The invention also relates to pharmaceutically acceptable compositions comprising the compounds of this invention; methods of treating of various diseases, disorders, and conditions using the compounds of this invention; processes for preparing the compounds of this invention; intermediates for the preparation of the compounds of this invention; and methods of using the compounds in in vitro applications, such as the study of kinases in biological and pathological phenomena; the study of intracellular signal transduction pathways mediated by such kinases; and the comparative evaluation of new kinase inhibitors. The compounds of this invention have formula (I):wherein the variables are as defined herein.

  本发明涉及可用作 ATR 蛋白激酶抑制剂的吡嗪化合物。本发明还涉及包含本发明化合物的药学上可接受的组合物；使用本发明化合物治疗各种疾病、失调和病症的方法；制备本发明化合物的工艺；制备本发明化合物的中间体；以及在体外应用中使用本发明化合物的方法，例如研究生物和病理现象中的激酶；研究由这些激酶介导的细胞内信号转导途径；以及比较评估新的激酶抑制剂。本发明的化合物具有式 (I)：其中的变量如本文所定义。
• Synthesis and evaluation of 1,2,4-oxadiazole derivatives as potential anti-inflammatory agents by inhibiting NF-κB signaling pathway in LPS-stimulated RAW 264.7 cells
  作者：Yu-Ying Zhang、Qian-Qian Zhang、Juan Zhang、Jia-Li Song、Jia-Cheng Li、Ke Han、Jin-Tian Huang、Cheng-Shi Jiang、Hua Zhang

  DOI：10.1016/j.bmcl.2020.127373

  日期：2020.9

  In this study, a series of compounds with 1,2,4-oxadiazole core was designed and synthesized for the optimi-zation of JC01, an anti-inflammatory hit identified from our in-house compound library using NF-xB pathway luciferase assay and NO production assay. All the synthetic compounds 1-29 have been screened for their anti-inflammatory effects by evaluating their inhibition against LPS-induced NO release, and compound 17 exhibited the highest activity. Western blotting and immunofluorescence analysis revealed that 17 prominently inhibited LPS-induced activation of NF-kappa B in RAW264.7 cells and blocked the phosphorylation of p65. Consistent with these results, it was found that 17 prevented the nuclear translocation of NF-kappa B induced by LPS. These data highlighted 17 as a promising anti-inflammatory agent by inhibiting NF-kappa B activity.
• PANCECHOWSKA-KSEPKO D.; FOKS H.; JANOWIEC M.; ZWOLSKA-KWIEK Z., ACTA POL. PHARM., 43,(1986) N 3, 211-217
  作者：PANCECHOWSKA-KSEPKO D.、 FOKS H.、 JANOWIEC M.、 ZWOLSKA-KWIEK Z.

  DOI：——

  日期：——