tert-butyl rel-(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: tert-butyl rel-(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carboxylate
• 英文别名: (4aR,7aS)-tert-Butyl hexahydropyrrolo[3,4-b][1,4]oxazine-4(4aH)-carboxylate；tert-butyl (4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carboxylate
• 化学式: C₁₁H₂₀N₂O₃
• 分子量: 228.291
• InChiKey: YLMNCYATSGIUDS-BDAKNGLRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl rel-(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carboxylate 在 盐酸 、 甲醇 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 生成 rel-(4aS,7aR)-6-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine hydrogen chloride
  参考文献：
  名称：

  [EN] FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS
  [FR] COMPOSÉS HÉTÉROARYLE BICYCLIQUES FUSIONNÉS UTILES EN TANT QU'INHIBITEURS DE NLRP3

  摘要：

  The invention relates to novel compounds having the general formula (Ic) wherein R1, R2, R3, R8, R9, RX, A1, A2, W and n are as described herein, composition including the compounds and methods of using the compounds.

  公开号：

  WO2023066825A1

文献信息

• Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection
  申请人：Hoffmann-La Roche Inc.

  公开号：US10662203B2

  公开（公告）日：2020-05-26

  The present invention relates to novel compounds of formula (I), wherein R1, R2, R3, R4, R5 and R6 are as described herein, and their pharmaceutically acceptable salt, enantiomer or diastereomer thereof, and compositions including the compounds and methods of using the compounds.

  本发明涉及式 (I) 的新型化合物、 其中 R1、R2、R3、R4、R5 和 R6 如本文所述，及其药学上可接受的盐、对映体或非对映异构体，以及包括这些化合物的组合物和使用这些化合物的方法。
• Benzimidazole derivatives and their uses
  申请人：TEIJIN PHARMA LIMITED

  公开号：US11332459B2

  公开（公告）日：2022-05-17

  The present invention relates to inhibitors of Transient Receptor Potential Channel 6 (TRPC6) protein activity. The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising a compound of the invention, a method for manufacturing compounds of the invention and therapeutic uses thereof.

  本发明涉及瞬时受体电位通道 6（TRPC6）蛋白活性的抑制剂。本发明提供了式(I)化合物或其药学上可接受的盐、包含本发明化合物的药物组合物、制造本发明化合物的方法及其治疗用途。
• NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION
  申请人：F. Hoffmann-La Roche AG

  公开号：EP3601282B1

  公开（公告）日：2021-07-21
• Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection
  申请人：Hoffmann-La Roche Inc.

  公开号：US20180327425A1

  公开（公告）日：2018-11-15

  The present invention relates to novel compounds of formula (I), wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as described herein, and their pharmaceutically acceptable salt, enantiomer or diastereomer thereof, and compositions including the compounds and methods of using the compounds.
• BENZIMIDAZOLE DERIVATIVES AND THEIR USES
  申请人：Amgen Inc.

  公开号：US20200308145A1

  公开（公告）日：2020-10-01

  The present invention relates to inhibitors of Transient Receptor Potential Channel 6 (TRPC6) protein activity. The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising a compound of the invention, a method for manufacturing compounds of the invention and therapeutic uses thereof.