3-羟基-7,8-二氢-1,6-萘啶-6(5h)-羧酸叔丁酯 | 625098-86-4

• 物质功能分类: 医药中间体
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 3-羟基-7,8-二氢-1,6-萘啶-6(5h)-羧酸叔丁酯
• 中文别名: 3-羟基-7,8-二氢-1,6-萘啶-6-(5H)-羧酸叔丁酯
• 英文名称: tert-butyl 3-hydroxy-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
• 英文别名: Tert-butyl 3-hydroxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate；tert-butyl 3-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
• CAS: 625098-86-4
• 化学式: C₁₃H₁₈N₂O₃
• 分子量: 250.298
• InChiKey: KGHGKHAUTOHDTA-UHFFFAOYSA-N

物化性质

• 沸点：
  458.2±45.0 °C(Predicted)
• 密度：
  1.214±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  62.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-羟基-7,8-二氢-1,6-萘啶-6(5h)-羧酸叔丁酯 在 caesium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-[pyrrolo[2,1-f][1,2,4]triazin-4-yloxy]-5,6,7,8-tetrahydro-1,6-naphthyridine trifluoroacetate
  参考文献：
  名称：

  [EN] DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS
  [FR] DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE ET COMPOSÉS APPARENTÉS ET LEUR UTILISATION DANS LE TRAITEMENT D'ÉTATS MÉDICAUX

  摘要：

  这项发明提供了二氢异喹啉-2(1H)-甲酰胺及相关化合物、药物组合物，以及它们在治疗医疗状况（如癌症）和抑制HPK1活性中的用途。

  公开号：

  WO2019200120A1
• 作为产物：
  描述：

  2-甲基-2-丙基3-硝基-7,8-二氢-1,6-萘啶-6(5H)-羧酸酯 在 盐酸 、 rhodium contaminated with carbon 、 氢气 、 sodium hydroxide 、 sodium nitrite 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 3.0h， 生成 3-羟基-7,8-二氢-1,6-萘啶-6(5h)-羧酸叔丁酯
  参考文献：
  名称：

  [EN] DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS
  [FR] DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE ET COMPOSÉS APPARENTÉS ET LEUR UTILISATION DANS LE TRAITEMENT D'ÉTATS MÉDICAUX

  摘要：

  这项发明提供了二氢异喹啉-2(1H)-甲酰胺及相关化合物、药物组合物，以及它们在治疗医疗状况（如癌症）和抑制HPK1活性中的用途。

  公开号：

  WO2019200120A1

文献信息

• An expeditious synthesis of 3-(difluoromethoxy)- and 3-(trifluoromethoxy)-5,6,7,8-tetrahydro-1,6-naphthyridines
  作者：Deodialsingh Guiadeen、Shankaran Kothandaraman、Lihu Yang、Sander G. Mills、Malcolm MacCoss

  DOI：10.1016/j.tetlet.2008.08.083

  日期：2008.10

  An expeditious and concise synthesis of 3-(difluoromethoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine and 3-(trifluoromethoxy)-5,6,7,8-tetrahydro-1,6-naphthyridines is described. Starting from N-benzyl piperidone, the key intermediates leading to these two biologically desirable synthones were rapidly assembled by inverse electron demand Diels-Alder (IEDA) reaction utilizing microwave irradiation. The scope of the microwave methodology developed herein was extended to other ketones. (c) 2008 Elsevier Ltd. All rights reserved.
• TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY
  申请人：Merck & Co., Inc.

  公开号：EP1501507B1

  公开（公告）日：2008-05-28
• DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS
  申请人：GOSSAMER BIO SERVICES, INC.

  公开号：US20210139484A1

  公开（公告）日：2021-05-13

  The invention provides dihydroisoquinoline-2(1H)-carboxamide and related compounds, pharmaceutical compositions, and their use in the treatment of medical conditions, such as cancer, and in inhibiting HPK1 activity.
• COMPOUNDS AND PROBES FOR IMAGING HUNTINGTIN PROTEIN
  申请人：CHDI Foundation, Inc.

  公开号：US20210236663A1

  公开（公告）日：2021-08-05

  Provided herein are certain compounds and imaging agents useful for detecting a condition or disorder associated with protein aggregation, compositions thereof, and methods of their use.
• AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS
  申请人：CHIESI FARMACEUTICI S.p.A.

  公开号：US20210253568A1

  公开（公告）日：2021-08-19

  The invention relates to compounds of formula I inhibiting Rho Kinase that are azaindole derivatives, methods of preparing such compounds, pharmaceutical compositions containing them and therapeutic use thereof. Particularly the compounds of the invention may be useful in the treatment of many disorders associated with ROCK enzymes mechanisms, such as pulmonary diseases including asthma, chronic obstructive pulmonary disease (COPD), idiopathic pulmonary fibrosis (IPF) and pulmonary arterial hypertension (PAH).