tert-butyl N-(1,4-oxazepan-6-yl)carbamate | 1782916-90-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧氮杂卓类
• 英文名称: tert-butyl N-(1,4-oxazepan-6-yl)carbamate
• CAS: 1782916-90-8
• 化学式: C₁₀H₂₀N₂O₃
• 分子量: 216.28
• InChiKey: ZKGJDFARDRHXIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  59.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-[(4R,11aS)-8-bromo-4-methyl-1,3,4,6,11,11a-hexahydropyrazino[1,2-b]isoquinolin-2-yl]quinoline-8-carbonitrile 、 tert-butyl N-(1,4-oxazepan-6-yl)carbamate 在 [(2-di-tert-butylphosphino-2′,4′,6′-triisopropyl-1, 1′-biphenyl)-2-(2′-amino-1,1′-biphenyl)] palladium(II) methanesulfonate 、 sodium t-butanolate 作用下， 以 1,4-二氧六环 为溶剂， 以20.9%的产率得到tert-butyl N-[4-[(4R,11aS)-2-(8-cyano-5-quinolyl)-4-methyl-1,3,4,6,11,11a-hexahydropyrazino[1,2-b]isoquinolin-8-yl]-1,4-oxazepan-6-yl]carbamate
  参考文献：
  名称：

  [EN] HYDROPYRAZINO[1,2-B]ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE
  [FR] COMPOSÉS D'HYDROPYRAZINO[1,2-B]ISOQUINOLINE POUR LE TRAITEMENT D'UNE MALADIE AUTO-IMMUNE

  摘要：

  本发明涉及式(I)的化合物，其中R1至R3如本文所述，以及其药用可接受的盐、对映体或顺反异构体，以及包括该化合物的组合物和使用该化合物的方法。

  公开号：

  WO2021094301A1

文献信息

• Tetrahydro-1H-pyrazino[2,1-a]isoindolylquinoline Compounds for the Treatment of Autoimmune Disease
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：US20210371432A1

  公开（公告）日：2021-12-02

  The present invention relates to compounds of formula (I), wherein R 1 to R 6 , m and n are I a described herein, and their pharmaceutically acceptable salt, enantiomer or diastereomer thereof, and compositions including the compounds and methods of using the compounds.
• 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS
  申请人：Merck Patent GmbH

  公开号：US20210380606A1

  公开（公告）日：2021-12-09

  The present invention relates to novel 5-azaindazole derivatives of formula (I), as described and defined herein, and pharmaceutically acceptable salts, solvates and prodrug thereof, as well as pharmaceutical compositions comprising such compounds. The 5-azaindazole derivatives according to the invention have been found to be highly effective dual A 2A /A 2B adenosine receptor antagonists, and can thus be used as therapeutic agents, particularly in the treatment or prevention of hyperproliferative or infectious diseases or disorders.
• HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE
  申请人：Hoffmann-La Roche Inc.

  公开号：US20210395239A1

  公开（公告）日：2021-12-23

  The present invention relates to compounds of formula (I), wherein R 1 to R 3 , A and Q are as described herein, and their pharmaceutically acceptable salt, enantiomer or diastereomer thereof, and compositions including the compounds and methods of using the compounds.