5,6-bis(4-methoxyphenyl)-3-((pyridin-3-ylmethyl)thio)-1,2,4-triazine | 1384970-99-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,6-bis(4-methoxyphenyl)-3-((pyridin-3-ylmethyl)thio)-1,2,4-triazine
• 英文别名: 5,6-bis(4-methoxyphenyl)-3-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazine
• CAS: 1384970-99-3
• 化学式: C₂₃H₂₀N₄O₂S
• 分子量: 416.503
• InChiKey: IJOLFGWQOGUHEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  95.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4,4'-二甲氧基苯酚酯 在 盐酸 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 3.17h， 生成 5,6-bis(4-methoxyphenyl)-3-((pyridin-3-ylmethyl)thio)-1,2,4-triazine
  参考文献：
  名称：

  Microwave-assisted synthesis and anticonvulsant activity of 5,6-bisaryl-1,2,4-triazine-3-thiol derivatives

  摘要：

  A series of 5,6-bisaryl-1,2,4-triazine-3-thiol derivatives were synthesized through microwave-promoted chemistry by condensation of the aromatic 1,2-diketones and thiosemicarbazide in a mixed green solvent. Subsequently, S-alkylation of 1,2,4-triazine-3-thiols afforded S-substituted derivatives. The anticonvulsant activity of the synthesized compounds was evaluated in vivo by electroshock and pentylenetetrazole (PTZ)-induced seizures tests. Among them, compound 4a bearing 4-pyridylmethylthio moiety on the triazine ring showed the highest protection in both electroshock and PTZ-induced seizures tests. Compound 4a showed no sign of neurotoxicity at the dose of 100 mg/kg in both rotarod and chimney tests.

  DOI：

  10.1007/s00044-013-0843-6

文献信息

• [EN] PYRAZOLOPYRIMIDINE DERIVATIVES AND USES AS ANTICANCER AGENTS<br/>[FR] DÉRIVÉS DE PYRAZOLOPYRIMIDINE ET LEURS UTILISATIONS COMME AGENTS ANTICANCÉREUX
  申请人：ACEA BIOSCIENCES INC

  公开号：WO2012097196A1

  公开（公告）日：2012-07-19

  Novel compounds having a fused pyrazolopyrimidine derivatives and related fused ring systems are disclosed. The compounds inhibit growth of a variety of types of cancer cells, and are thus useful for treating cancer. Pharmaceutical compositions, and methods of using these compounds and compositions to treat cancer and other diseases related to the dysregulation of kinase (such as Aurora A, Aurora B, Aurora C, cMet, JAK2, ROS1, but not limited to) pathways are disclosed. Efficacy of these compounds is demonstrated with a system for monitoring cell growth/migration, which shows they are potent inhibitors of growth and/or migration of cancer cells. Compositions comprising these compounds, and methods to use these compounds and compositions for treatment of cancers, are disclosed.

  揭示了具有融合吡唑吡嘧啶衍生物和相关融合环系统的新化合物。这些化合物抑制各种类型的癌细胞的生长，因此可用于治疗癌症。还揭示了用于治疗癌症和与激酶（如Aurora A、Aurora B、Aurora C、cMet、JAK2、ROS1等，但不限于）途径失调相关的其他疾病的这些化合物和组合物的药物组合物和使用这些化合物和组合物的方法。这些化合物的疗效通过监测细胞生长/迁移的系统得到证明，显示它们是癌细胞生长和/或迁移的有效抑制剂。揭示了包含这些化合物的组合物和使用这些化合物和组合物治疗癌症的方法。