1-[5-(3,4,5-Trimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-propan-2-one | 140406-17-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-[5-(3,4,5-Trimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-propan-2-one
• 英文别名: 1-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
• CAS: 140406-17-3
• 化学式: C₁₄H₁₇N₃O₄S
• 分子量: 323.373
• InChiKey: YBDFRDLISBDNTJ-UHFFFAOYSA-N

物化性质

• 沸点：
  525.5±60.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-[5-(3,4,5-Trimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-propan-2-one 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 6-Methyl-2-(3,4,5-trimethoxy-phenyl)-thiazolo[3,2-b][1,2,4]triazole
  参考文献：
  名称：

  Synthesis and biological evaluation of thiazolo-triazole derivatives

  摘要：

  Two series of isomeric thiazolo[3,2-b][1,2,4]triazole and thiazolo[2,3-c][1,2,4]triazole derivatives were prepared following multiple synthetic pathways. The obtained compounds were submitted to preliminar pharmacological assays to evaluate their anti-inflammatory, analgesic and antipyretic activity. Suggestions about structure-activity relationships between the two classes of isomers were delineated. Moreover, some of the starting molecules, phenacylthio[1,2,4]triazoles were submitted to microbiological analysis to test their antibacterial and antimycotic activity.

  DOI：

  10.1016/0223-5234(91)90135-a
• 作为产物：
  描述：

  一氯丙酮 、 3-(3,4,5-trimethoxyphenyl)-4H-5-mercapto-1,2,4-triazole 在 sodium acetate 作用下， 以 丙酮 为溶剂， 反应 0.5h， 以75%的产率得到1-[5-(3,4,5-Trimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-propan-2-one
  参考文献：
  名称：

  Synthesis and biological evaluation of thiazolo-triazole derivatives

  摘要：

  Two series of isomeric thiazolo[3,2-b][1,2,4]triazole and thiazolo[2,3-c][1,2,4]triazole derivatives were prepared following multiple synthetic pathways. The obtained compounds were submitted to preliminar pharmacological assays to evaluate their anti-inflammatory, analgesic and antipyretic activity. Suggestions about structure-activity relationships between the two classes of isomers were delineated. Moreover, some of the starting molecules, phenacylthio[1,2,4]triazoles were submitted to microbiological analysis to test their antibacterial and antimycotic activity.

  DOI：

  10.1016/0223-5234(91)90135-a

文献信息

• SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES
  申请人：Mayo Foundation for Medical Education and Research

  公开号：US20170050939A1

  公开（公告）日：2017-02-23

  This document relates to inhibitors of G protein coupled receptor 6 kinase (GRK6) polypeptides as well as methods and materials for using such inhibitors to treat hematological malignancies, inflammation diseases, and autoimmune disorders.