(1R,4S,12aR)-N-(2,4-difluorobenzyl)-7-hydroxy-6,8-dioxo-1,2,3,4,5,6,8,12,12a-octahydro-1,4-methanopyrido[1,2a:1',2'-d]pyrazine-9-carboxamide | 1611493-61-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (1R,4S,12aR)-N-(2,4-difluorobenzyl)-7-hydroxy-6,8-dioxo-1,2,3,4,5,6,8,12,12a-octahydro-1,4-methanopyrido[1,2a:1',2'-d]pyrazine-9-carboxamide
• 英文别名: (1R,4S,12aR)-N-(2,4-difluorobenzyl)-7-hydroxy-6,8-dioxo-1,2,3,4,6,8,12,12a-octahydro-1,4-methanodipyrido[1,2-a:1',2'-d]pyrazine-9-carboxamide；(1S,11R,12R)-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide
• CAS: 1611493-61-8
• 化学式: C₂₁H₁₉F₂N₃O₄
• 分子量: 415.396
• InChiKey: WKGDGYMWVQYBAY-HICWGWBUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  90
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (1S,11R,12R)-3,6-dioxo-5-phenylmethoxy-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxylic acid 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 生成 (1R,4S,12aR)-N-(2,4-difluorobenzyl)-7-hydroxy-6,8-dioxo-1,2,3,4,5,6,8,12,12a-octahydro-1,4-methanopyrido[1,2a:1',2'-d]pyrazine-9-carboxamide
  参考文献：
  名称：

  [EN] POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE
  [FR] COMPOSÉS DE CARBAMOYLPYRIDONE POLYCYCLIQUES ET LEUR UTILISATION PHARMACEUTIQUE

  摘要：

  披露了用于治疗人类免疫缺陷病毒（HIV）感染的化合物。这些化合物具有以下式（I）：包括立体异构体和其药用可接受的盐，其中R1、X、W、Y1、Y2、Ζ1和Z4如本文所定义。还披露了与这些化合物的制备和使用相关的方法，以及包含这些化合物的药物组合物。

  公开号：

  WO2014100323A1

文献信息

• [EN] COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES<br/>[FR] ASSOCIATION DE VACCINS CONTRE LE VIRUS DE L'HÉPATITE B (VHB) ET DE DÉRIVÉS DE PYRIDOPYRIMIDINE
  申请人：JANSSEN SCIENCES IRELAND UNLIMITED CO

  公开号：WO2020255038A1

  公开（公告）日：2020-12-24

  Therapeutic combinations of hepatitis B virus (HBV) vaccines and a pyridopyrimidine derivative are described. Methods of inducing an immune response against HBV or treating an HBV-induced disease, particularly in individuals having chronic HBV infection, using the disclosed therapeutic combinations are also described. The invention provides therapeutic combinations or compositions and methods for inducing an immune response against hepatitis B viruses (HBV) infection.

  本发明描述了乙型肝炎病毒（HBV）疫苗和吡啶吡嘧啶衍生物的治疗组合。还描述了利用所述治疗组合诱导免疫应答对抗HBV或治疗HBV引起的疾病的方法，特别是在患有慢性HBV感染的个体中。该发明提供了用于诱导免疫应答对抗乙型肝炎病毒（HBV）感染的治疗组合或组成物和方法。
• TOLL LIKE RECEPTOR MODULATOR COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：US20160289229A1

  公开（公告）日：2016-10-06

  The present disclosure relates generally to toll like receptor modulator compounds, such as diamino pyrido[3,2 D]pyrimidine compounds and pharmaceutical compositions which, among other things, modulate toll-like receptors (e.g. TLR-8), and methods of making and using them.

  本公开涉及调节类似受体调节剂化合物，例如二氨基吡啶并[3,2 D]嘧啶化合物和药物组合物，其中调节类似受体（例如TLR-8），以及制备和使用它们的方法。
• POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE
  申请人：Gilead Sciences, Inc.

  公开号：US20140221356A1

  公开（公告）日：2014-08-07

  Compounds for use in the treatment of human immunodeficiency virus (HIV) infection are disclosed. The compounds have the following Formula (I): including stereoisomers and pharmaceutically acceptable salts thereof, wherein R 1 , X, W, Y 1 , Y 2 , Z 1 , and Z 4 are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  本发明揭示了用于治疗人类免疫缺陷病毒（HIV）感染的化合物。这些化合物具有以下式子（I）：包括立体异构体和其药学上可接受的盐，其中R1、X、W、Y1、Y2、Z1和Z4的定义如本文所述。本发明还揭示了与制备和使用这些化合物相关的方法，以及包含这些化合物的制药组合物。
• SUBSTITUTED 1,2,3,4,6,8,12,12a-OCTAHYDRO-1,4-METHANODIPYRIDO[1,2-a:1',2'-d]PYRAZINES AND METHODS FOR TREATING VIRAL INFECTIONS
  申请人：Gilead Sciences, Inc.

  公开号：US20160176885A1

  公开（公告）日：2016-06-23

  Compounds for use in the treatment of human immunodeficiency virus (HIV) infection are disclosed. The compounds have the following Formula (I): including stereoisomers and pharmaceutically acceptable salts thereof, wherein R 1 , X, W, Y 1 , Y 2 , Z 1 , and Z 4 are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  本发明揭示了用于治疗人类免疫缺陷病毒（HIV）感染的化合物。这些化合物具有以下式（I）：包括立体异构体和其药学上可接受的盐，其中R1、X、W、Y1、Y2、Z1和Z4如本文所定义。本发明还揭示了与制备和使用这些化合物相关的方法，以及包含这些化合物的制药组合物。
• 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR UTILISATION AS MODULATORS OF TOLL-LIKE RECEPTORS
  申请人：Gilead Sciences, Inc.

  公开号：EP3321265A1

  公开（公告）日：2018-05-16

  The present disclosure relates generally to toll like receptor modulator compounds, such as diamino pyrido[3,2 D] pyrimidine compounds and pharmaceutical compositions which, among other things, modulate toll-like receptors (e.g. TLR-8), and methods of making and using them.

  本公开总体上涉及类收费受体调节剂化合物，如二氨基吡啶并[3,2 D]嘧啶化合物和药物组合物，除其他外，它们可调节类收费受体（如 TLR-8），以及制造和使用它们的方法。