isoquinoline-3-carboxylic acid hydroxymethylamide | 1431468-49-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: isoquinoline-3-carboxylic acid hydroxymethylamide
• 英文别名: Isoquinoline-3-carboxylic acid hydroxy-methyl-amide；N-hydroxy-N-methylisoquinoline-3-carboxamide
• CAS: 1431468-49-3
• 化学式: C₁₁H₁₀N₂O₂
• 分子量: 202.213
• InChiKey: RDZHIOACDCQUEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异喹啉-3-甲酸 、 N-甲基羟胺盐酸盐 以The expected compound was isolated as a white powder (43% yield)的产率得到isoquinoline-3-carboxylic acid hydroxymethylamide
  参考文献：
  名称：

  Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease

  摘要：

  本发明涉及一种具有一般式I的化合物，可选地以药学上可接受的盐、溶剂化物、多晶形、前药、互变异构体、外消旋体、对映体或其混合物的形式存在，该化合物在治疗、改善或预防病毒性疾病方面具有用处。此外，还披露了特定的联合治疗方案。

  公开号：

  US20130102600A1

文献信息

• Pyrimidin-4-one derivatives and their use in the treatment, amelioration or prevention of a viral disease
  申请人：F. HOFFMANN-LA ROCHE LTD

  公开号：US20130102601A1

  公开（公告）日：2013-04-25

  The present invention relates to a compound having the general formula II, optionally in the form of a pharmaceutically acceptable salt, solvate, polymorph, prodrug, tautomer, racemate, enantiomer, or diastereomer or mixture thereof, which is useful in treating, ameloriating or preventing a viral disease. Furthermore, specific combination therapies are disclosed.

  本发明涉及具有通式II的化合物，可选地以药学上可接受的盐、溶剂合物、多型体、前药、互变异构体、消旋体、对映体或二对映体或其混合物的形式存在，用于治疗、改善或预防病毒性疾病。此外，还披露了特定的联合疗法。
• PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2794616B1

  公开（公告）日：2016-06-29
• Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease
  申请人：F. HOFFMANN-LA ROCHE LTD

  公开号：US20160376286A1

  公开（公告）日：2016-12-29

  The present invention relates to a compound having the general formula II, optionally in the form of a pharmaceutically acceptable salt, solvate, polymorph, prodrug, tautomer, racemate, enantiomer, or diastereomer or mixture thereof, which is useful in treating, ameloriating or preventing a viral disease. Furthermore, specific combination therapies are disclosed.