isoquinoline-3-carboxylic acid tert-butoxyamide | 1431470-15-3

• 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 tert-butoxyamide
• 英文别名: N-tert-butoxyisoquinoline-3-carboxamide；N-[(2-methylpropan-2-yl)oxy]isoquinoline-3-carboxamide
• CAS: 1431470-15-3
• 化学式: C₁₄H₁₆N₂O₂
• 分子量: 244.293
• InChiKey: MTINZHXYVLZMMH-UHFFFAOYSA-N

物化性质

• 密度：
  1.146±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  isoquinoline-3-carboxylic acid tert-butoxyamide 在 三氟乙酸 作用下， 反应 20.0h， 以65%的产率得到isoquinoline-3-carboxylic acid hydroxyamide
  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通式I的化合物，可选地以药物可接受的盐、溶剂化物、多晶型、前药、互变异构体、外消旋体、对映体、非对映体或其混合物的形式，该化合物在治疗、改善或预防病毒性疾病方面有用。此外，还公开了特定的组合疗法。

  公开号：

  US20130102600A1

文献信息

• Heteroaryl hydroxamic acid 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：US20130102600A1

  公开（公告）日：2013-04-25

  The present invention relates to a compound having the general formula I, 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, ameliorating or preventing a viral disease. Furthermore, specific combination therapies are disclosed.

  本发明涉及一种具有通式I的化合物，可选地以药物可接受的盐、溶剂化物、多晶型、前药、互变异构体、外消旋体、对映体、非对映体或其混合物的形式，该化合物在治疗、改善或预防病毒性疾病方面有用。此外，还公开了特定的组合疗法。
• HETEROARYL HYDROXAMIC ACID 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：EP2776396A2

  公开（公告）日：2014-09-17
• 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：EP2794616A1

  公开（公告）日：2014-10-29
• 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.
• [EN] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE<br/>[FR] DÉRIVÉS DE PYRIMIDIN-4-ONE ET LEUR UTILISATION DANS LE TRAITEMENT, L'AMÉLIORATION OU LA PRÉVENTION D'UNE MALADIE VIRALE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013057253A1

  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, Formula (II) which is useful in treating, ameloriating or preventing a viral disease. Furthermore, specific combination therapies are disclosed.