2-(6-methyl-4-nitro-1-oxy-pyridin-3-yl)-3-oxo-butyric acid ethyl ester | 62516-16-9

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 2-(6-methyl-4-nitro-1-oxy-pyridin-3-yl)-3-oxo-butyric acid ethyl ester
• 英文别名: Ethyl 2-(6-methyl-4-nitro-1-oxidopyridin-1-ium-3-yl)-3-oxobutanoate
• CAS: 62516-16-9
• 化学式: C₁₂H₁₄N₂O₆
• 分子量: 282.253
• InChiKey: YMXLXTRMIFQLJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(6-methyl-4-nitro-1-oxy-pyridin-3-yl)-3-oxo-butyric acid ethyl ester 在 aluminum (III) chloride 、 硫酸 、 palladium 10% on activated carbon 、 氢气 、 三氯化磷 作用下， 以 乙醇 、 1,2-二氯乙烷 为溶剂， 反应 66.5h， 生成 (2,6-dimethyl-1H-pyrrolo[3,2-c]pyridin-3-yl)(4-(methylsulfonyl)phenyl)methanone
  参考文献：
  名称：

  [EN] INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF
  [FR] DÉRIVÉ D'HALOALLYLAMINES INDOLE ET AZAINDOLE COMME INHIBITEURS DE LYSYL OXYDASES, ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2017136871A9
• 作为产物：
  描述：

  5-溴-2-甲基-4-硝基吡啶-1-氧化物 生成 2-(6-methyl-4-nitro-1-oxy-pyridin-3-yl)-3-oxo-butyric acid ethyl ester
  参考文献：
  名称：

  MATSUMURA E.; ARIGA M., BULL. CHEM. SOC. JAP. , 1977, 50, NO 1, 237-241

  摘要：

  DOI：

文献信息

• Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof
  申请人：PHARMAXIS LTD.

  公开号：US10717734B2

  公开（公告）日：2020-07-21

  The present invention relates to novel compounds which are capable of inhibiting certain amine oxidase enzymes. These compounds are useful for treatment of a variety of indications, e.g., fibrosis, cancer and/or angiogenesis in human subjects as well as in pets and livestock. In addition, the present invention relates to pharmaceutical compositions containing these compounds, as well as various uses thereof.

  本发明涉及能够抑制某些胺氧化酶的新型化合物。这些化合物可用于治疗各种适应症，如人类、宠物和家畜的纤维化、癌症和/或血管生成。此外，本发明还涉及含有这些化合物的药物组合物及其各种用途。
• INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF
  申请人：PHARMAXIS LTD.

  公开号：US20190119269A1

  公开（公告）日：2019-04-25

  The present invention relates to novel compounds which are capable of inhibiting certain amine oxidase enzymes. These compounds are useful for treatment of a variety of indications, e.g., fibrosis, cancer and/or angiogenesis in human subjects as well as in pets and livestock. In addition, the present invention relates to pharmaceutical compositions containing these compounds, as well as various uses thereof.