1-ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione | 332402-53-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
• 英文别名: 1-ethyl-6-methyl-3-thiophen-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
• CAS: 332402-53-6
• 化学式: C₁₂H₁₁N₅O₂S
• 分子量: 289.318
• InChiKey: DMDNERFCUCYCGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 1,4-dithio-erythritol 作用下， 以 甲醇 为溶剂， 反应 72.0h， 生成 1-ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
  参考文献：
  名称：

  嘧啶[5,4- e ] [1,2,4]三嗪-5,7（1 H，6 H）-二酮衍生物作为新型小分子伴侣放大器

  摘要：

  嘧啶[5,4- e ] [1,2,4]三嗪-5,7（1 H，6 H）-二酮衍生物被研究为热休克因子1转录活性的新型小分子放大器。铅的优化导致化合物4A-13的发现，该化合物在轻度热应激下（EC 50  = 2.5μM）表现出强大的HSF1活性，在鱼藤酮（EC 50  = 0.23μM）和氧-葡萄糖剥夺细胞毒性模型中均具有显着的细胞保护作用（在2.5μM时具有80％的保护）。

  DOI：

  10.1016/j.bmcl.2009.05.073

文献信息

• Inhibitors of HIV-1 integrase multimerization
  申请人：Institute for Cancer Research

  公开号：US10888564B2

  公开（公告）日：2021-01-12

  The disclosure generally relates to compounds of formulas (I) and (II)7 including compositions and methods for treating human immunodeficiency virus (HIV) infection. The disclosure provides novel inhibitors of HIV-1 integrase, pharmaceutical compositions containing such compounds, and methods for using these compounds in the treatment of HIV infection.

  本公开一般涉及式(I)和(II)7化合物，包括治疗人类免疫缺陷病毒（HIV）感染的组合物和方法。本公开提供了 HIV-1 整合酶的新型抑制剂、含有此类化合物的药物组合物以及使用这些化合物治疗 HIV 感染的方法。
• COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION
  申请人：Wong Chi-Huey

  公开号：US20130158037A1

  公开（公告）日：2013-06-20

  The present invention provides compounds which are potent inhibitors against Lpd activity, PDH activity, and/or the growth of tubercle bacillus , and thus are useful in the treatment of tuberculosis infection and associated conditions. The present invention is further directed to in vitro- and in vzivo-based methods of inhibiting Lpd and/or PDH activity. In certain embodiments, these methods are useful in inhibiting Lpd and/or PDH activity key to a pathogen's survival.
• INHIBITORS OF HIV-1 INTEGRASE MULTIMERIZATION
  申请人：Institute for Cancer Research d/b/a The Research Institute of Fox Chase Cancer Center

  公开号：US20210113570A1

  公开（公告）日：2021-04-22

  The disclosure generally relates to compounds, compositions, and methods for treating human immunodeficiency virus (HIV) infection. The disclosure provides novel inhibitors of HIV-1 integrase, pharmaceutical compositions containing such compounds, and methods for using these compounds in the treatment of HIV infection.
• US9073941B2
  申请人：——

  公开号：US9073941B2

  公开（公告）日：2015-07-07
• [EN] COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION<br/>[FR] COMPOSÉS ET PROCÉDÉS DESTINÉS AU TRAITEMENT D'UNE INFECTION PAR LA TUBERCULOSE
  申请人：ACADEMIA SINICA TAIWAN

  公开号：WO2012006104A2

  公开（公告）日：2012-01-12

  The present invention provides compounds which are potent inhibitors against Lpd activity, PDH activity, and/or the growth of tubercle bacillus, and thus are useful in the treatment of tuberculosis infection and associated conditions. The present invention is further directed to in vitro- and in vzivo-based methods of inhibiting Lpd and/or PDH activity. In certain embodiments, these methods are useful in inhibiting Lpd and/or PDH activity key to a pathogen' s survival.