(1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide

• 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: (1S,11R,13R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide
• 化学式: C₂₂H₂₁F₂N₃O₅
• 分子量: 445.4
• InChiKey: OTXPUQANJILFCT-XWCIJXRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  99.2
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• CRYSTALLINE FORMS OF (2R,5S,13AR)-8-HYDROXY-7,9-DIOXO-N-(2,4,6-TRIFLUOROBENZYL)-2,3,4,5,7,9,13,13A-OCTAHYDRO-2,5-METHANOPYRIDO[1',2':4,5]PYRAZINO[2,1-B][1,3]OXAZEPINE-10-CARBOXAMIDE
  申请人：Gilead Sciences, Inc.

  公开号：US20150366872A1

  公开（公告）日：2015-12-24

  The present invention relates to crystalline forms and co-crystals of (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluorobenzyl)-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide, the pharmaceutical formulations, and the therapeutic uses thereof. The present invention also relates to novel crystalline forms of sodium (2R,5S,13aR)-7,9-dioxo-10-((2,4,6-trifluorobenzyl)carbamoyl)-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazepin-8-olate Form I.

  本发明涉及(2R,5S,13aR)-8-羟基-7,9-二氧-N-(2,4,6-三氟苯基甲基)-2,3,4,5,7,9,13,13a-八氢-2,5-甲基吡啶[1′,2′:4,5]吡嗪[2,1-b][1,3]噁唑-10-羧酰胺的晶体形式和共晶体，以及其制药组合物和治疗用途。本发明还涉及新的晶体形式的钠(2R,5S,13aR)-7,9-二氧-10-((2,4,6-三氟苯基甲基)氨基)-2,3,4,5,7,9,13,13a-八氢-2,5-甲基吡啶[1′,2′:4,5]吡嗪[2,1-b][1,3]噁唑-8-酸盐I。
• 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。
• SODIUM (2R,5S,13AR)-7,9-DIOXO-10-((2,4,6-TRIFLUOROBENZYL)CARBAMOYL)-2,3,4,5,7,9,13,13A-OCTAHYDRO-2,5-METHANOPYRIDO[1',2':4,5]PYRAZINO[2,1-B]OXAZEPIN-8-OLATE
  申请人：Gilead Sciences, Inc.

  公开号：US20160016973A1

  公开（公告）日：2016-01-21

  The present invention relates to sodium (2R,5S,13aR)-7,9-dioxo-10-((2,4,6-trifluorobenzyl)carbamoyl)-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazepin-8-olate Form I.

  本发明涉及一种钠(2R,5S,13aR)-7,9-二氧基-10-((2,4,6-三氟苯甲基)氨基甲酰)-2,3,4,5,7,9,13,13a-八氢-2,5-甲基吡啶[1',2':4,5]吡嗪[2,1-b][1,3]噁唑啉-8-酸盐I型。
• Therapeutic Compositions for Treatment of Human Immunodeficiency Virus
  申请人：Gilead Sciences, Inc.

  公开号：US20170189337A1

  公开（公告）日：2017-07-06

  A solid oral dosage form is provided, comprising a compound of Formula I or a pharmaceutically acceptable salt thereof, tenofovir alafenamide or a pharmaceutically acceptable salt thereof, and emtricitabine or a pharmaceutically acceptable salt thereof.
• SODIUM (2R,5S,13AR)-7,9-DIOXO-10-((2,4,6-TRIFLUOROBENZYL)CARBAMOYL)-2,3,4,5,7,9,13,13A-OCTAHYDRO-2,5-METHANOPYRIDO[1',2':4,5]PYRAZINO[2,1-B][1,3]OXAZEPIN-8-OLATE
  申请人：GILEAD SCIENCES, INC.

  公开号：US20180065986A1

  公开（公告）日：2018-03-08

  The present invention relates to sodium (2R,5S,13aR)-7,9-dioxo-10-((2,4,6-trifluorobenzyl)carbamoyl)-2,3,4,5,7,9,13,13 a -octahydro-2,5-methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazepin-8-olate Form I.