2,5,7-Trimethylimidazo[4,5-e][1,2,4]triazine-3,6-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 2,5,7-Trimethylimidazo[4,5-e][1,2,4]triazine-3,6-dione
• 化学式: C₇H₉N₅O₂
• 分子量: 195.18
• InChiKey: CWZRWYWOEQSMAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  68.6
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Novel protein tyrosine phosphatase inhibitor
  申请人：——

  公开号：US20040138218A1

  公开（公告）日：2004-07-15

  Use of a compound of formula (I), wherein each R, which are the same or different, is H or C 1 -C 6 alkyl, and X completes a ring which is a substituted triazine having one of the following formulae (II) to (IV), wherein R′ is H or C 1 -C 6 alkyl; or an enol tautomer of a compound of formula (I) in which any of the groups R or R′ is hydrogen; in the manufacture of a medicament for use as a protein tyrosine phosphatase (PTP) inhibitor. Formula (I) embraces 2-methylfervenulone, which can be produced by fermentation of a novel microbial strain. Fermentation of the said strain also produces novel precursors to 2-methylfervenulone having utility as prodrugs. 1

  使用式 (I) 的化合物，其中每个 R（相同或不同）为 H 或 C 1 -C 6 烷基，X 构成一个环，该环是具有下式（II）至（IV）之一的取代三嗪，其中 R′是 H 或 C 1 -C 6 烷基；或式（I）化合物的烯醇同系物，其中任一基团 R 或 R′为氢；用于制造用作蛋白酪氨酸磷酸酶（PTP）抑制剂的药物。式（Ⅰ）包括 2-甲基铁酮，可通过新型微生物菌株发酵生产。上述菌株的发酵还可产生新型的 2-甲基阿魏酰前体，可用作原药。 1
• PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING
  申请人：enEvolv, Inc.

  公开号：EP3027754A1

  公开（公告）日：2016-06-08
• US7199121B2
  申请人：——

  公开号：US7199121B2

  公开（公告）日：2007-04-03
• US9944925B2
  申请人：——

  公开号：US9944925B2

  公开（公告）日：2018-04-17
• [EN] NOVEL PROTEIN TYROSINE PHOSPHATASE INHIBITOR<br/>[FR] NOUVEL INHIBITEUR DE PROTEINE TYROSINE PHOSPHATASE
  申请人：INST OF MOLECUL & CELL BIOLOGY

  公开号：WO2002020525A2

  公开（公告）日：2002-03-14

  Use of a compound of formula (I), wherein each R, which are the same or different, is H or C1-C6 alkyl, and X completes a ring which is a substituted triazine having one of the following formulae (II) to (IV), wherein R' is H or C1-C6 alkyl; or an enol tautomer of a compound of formula (I) in which any of the groups R or R' is hydrogen; in the manufacture of a medicament for use as a protein tyrosine phosphatase (PTP) inhibitor. Formula (I) embraces 2-methylfervenulone, which can be produced by fermentation of a novel microbial strain. Fermentation of the said strain also produces novel precursors to 2-methylfervenulone having utility as prodrugs.