1-(2-benzylthio-7-methyl[1,2,4]triazolo[2,3-a]pyrimidin-6-yl)ethanone | 876668-27-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: 1-(2-benzylthio-7-methyl[1,2,4]triazolo[2,3-a]pyrimidin-6-yl)ethanone
• 英文别名: 1-(2-Benzylsulfanyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
• CAS: 876668-27-8
• 化学式: C₁₅H₁₄N₄OS
• 分子量: 298.368
• InChiKey: ZUVWWXDPWJCBNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  85.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-乙氧亚甲基-2,4-戊二酮 、 3-苄磺酰基-1H-1,2,4-噻唑-5-胺 在 溶剂黄146 作用下， 以60%的产率得到1-(2-benzylthio-7-methyl[1,2,4]triazolo[2,3-a]pyrimidin-6-yl)ethanone
  参考文献：
  名称：

  2-R-7-甲基[1,2,4]三唑并[2,3-a]嘧啶：合成和结构

  摘要：

  5-R-3-氨基-1,2,4-三唑与乙氧基亚甲基乙酰丙酮和乙氧基亚甲基乙酰乙酸乙酯的反应区域选择性地进行，得到2-R-7-甲基[1,2,4]三唑并[2,3-a]-嘧啶收益良好。所得化合物通过元素分析、1H NMR光谱和X射线衍射分析（对于2-乙硫基-7-甲基[1,2,4]三唑并[2,3-a]嘧啶-6-羧酸乙酯） . 通过 DFT 方法 (B3LYP/6-31G**) 计算了前沿轨道、分子静电势和试剂分子的几何形状。

  DOI：

  10.1007/s11172-008-0163-z

文献信息

• Microrna modulators and method for identifying and using the same
  申请人：Huang Qihong

  公开号：US20100196357A1

  公开（公告）日：2010-08-05

  The present invention is a method for identifying agents which modulate microRNA activity. The invention involves contacting a cell harboring a microRNA and a microRNA binding sequence, which is operably linked to a nucleic acid molecule encoding a reporter protein, with a test agent and determining whether the test agent increases or decreases the expression of the reporter protein thereby identifying a microRNA modulator. Antagonists identified by this screening assay are provided, as are methods for using the same to inhibit microRNA activity and prevent or treat disease.
• MicroRNA Modulators and Method for Identifying And Using The Same
  申请人：Huang Qihong

  公开号：US20120010177A1

  公开（公告）日：2012-01-12

  The present invention is a method for identifying agents which modulate microRNA activity. The invention involves contacting a cell harboring a microRNA and a microRNA binding sequence, which is operably linked to a nucleic acid molecule encoding a reporter protein, with a test agent and determining whether the test agent increases or decreases the expression of the reporter protein thereby identifying a microRNA modulator. Antagonists identified by this screening assay are provided, as are methods for using the same to inhibit microRNA activity and prevent or treat disease.
• MicroRNA Modulators and Method for Identifying and Using the Same
  申请人：Huang Qihong

  公开号：US20130023498A1

  公开（公告）日：2013-01-24

  The present invention is a method for identifying agents which modulate microRNA activity. The invention involves contacting a cell harboring a microRNA and a microRNA binding sequence, which is operably linked to a nucleic acid molecule encoding a reporter protein, with a test agent and determining whether the test agent increases or decreases the expression of the reporter protein thereby identifying a microRNA modulator. Antagonists identified by this screening assay are provided, as are methods for using the same to inhibit microRNA activity and prevent or treat disease.
• US20140255386A1
  申请人：——

  公开号：US20140255386A1

  公开（公告）日：2014-09-11
• [EN] MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME<br/>[FR] MODULATEURS DE MICROARN ET MÉTHODE D'IDENTIFICATION ET D'UTILISATION ASSOCIÉE
  申请人：WISTAR INST

  公开号：WO2013019469A1

  公开（公告）日：2013-02-07

  The present invention is a method for identifying agents which modulate microRNA activity. The invention involves contacting a cell harboring a microRNA and a microRNA binding sequence, which is operably linked to a nucleic acid molecule encoding a reporter protein, with a test agent and determining whether the test agent increases or decreases the expression of the reporter protein thereby identifying a microRNA modulator. Antagonists identified by this screening assay are provided, as are methods for using the same to inhibit microRNA activity and prevent or treat disease.