5,6-dihydro-8-hydroxy-5-oxo-2,6-naphthyridine-7-carboxylic acid ethyl ester | 1147284-45-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 5,6-dihydro-8-hydroxy-5-oxo-2,6-naphthyridine-7-carboxylic acid ethyl ester
• 英文别名: ethyl 4-hydroxy-1-oxo-2H-2,6-naphthyridine-3-carboxylate
• CAS: 1147284-45-4
• 化学式: C₁₁H₁₀N₂O₄
• 分子量: 234.211
• InChiKey: JIHCLKHBWKUGCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  88.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dion-2-acetic acid ethyl ester 在 乙醇 、 sodium ethanolate 、 溶剂黄146 作用下， 以 乙醇 、 水 为溶剂， 反应 0.5h， 以35%的产率得到5,6-dihydro-8-hydroxy-5-oxo-2,6-naphthyridine-7-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis and spectroscopic properties of novel polyfunctionally substituted 2,6- and 2,7-naphthyridines

  摘要：

  Series of 5,6-dihydro-8-hydroxy-5-oxo-2,6-naphthyridine-7-carboxylic acid derivatives (2,4) and the isomeric 7,8-dihydro-5-hydroxy-8-oxo-2,7-naphthyridine-6-carboxylic acid derivatives (3,5) having potential pharmacological activity were synthesized from 3,4-pyridinedicarboxylic acid derivatives. Spectroscopic data (IR, H-1- and C-13-NMR, MS) are analyzed and support the enol-lactam structure of compounds 2-5 in Solution, solid state and gas phase. Results in the different series (2.6- vs 2,7-naphthyridines and N-unsubstituted lactam vs N-methyl derivatives) are compared. and common and differential features amongst them are indicated. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2009.01.012

文献信息

• HCV NS3 PROTEASE INHIBITORS
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20140296136A1

  公开（公告）日：2014-10-02

  The present invention relates to macrocyclic compounds of formula (I) that are useful as inhibitors of the hepatitis C virus (HCV) NS3 protease, their synthesis, and their use for treating or preventing HCV infections.

  本发明涉及公式（I）的大环化合物，它们是丙型肝炎病毒（HCV）NS3蛋白酶的抑制剂，它们的合成以及它们用于治疗或预防HCV感染的用途。
• US9328138B2
  申请人：——

  公开号：US9328138B2

  公开（公告）日：2016-05-03