(2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)benzofuran-2-carboxamide methanesulfonate | 1111941-95-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: (2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)benzofuran-2-carboxamide methanesulfonate
• 英文别名: (2s,3r)-n-(2-((3-Pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)benzofuran-2-carboxamide methanesulfonate salt；methanesulfonic acid;N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
• CAS: 1111941-95-7
• 化学式: CH₄O₃S*C₂₂H₂₃N₃O₂
• 分子量: 457.55
• InChiKey: DNDCKVYPPQUOIT-OZYANKIXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.77
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  甲烷磺酸 、 TC-5619 在 甲醇 、 异丙醇 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以gave 146 mg (92.5% yield) of light beige solid, mp 240-243° C的产率得到(2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)benzofuran-2-carboxamide methanesulfonate
  参考文献：
  名称：

  2S,3R)-N-(2-((3-PYRIDINYL)METHYL)-1-AZABICYCLO[2.2.2]OCT-3-YL-BENZYOFURAN-2-CARBOXAMIDE, NOVEL SALT FORMS, AND METHODS OF USE THEREOF

  摘要：

  本发明涉及（2S,3R）-N-（2-（（3-吡啶基）甲基）-1-氮杂双环[2.2.2]辛-3-基）苯并呋喃-2-羧酰胺，其新的盐形式，其制备方法，新的中间体以及治疗各种疾病和紊乱的方法，包括与中枢神经系统和自主神经系统功能障碍有关的疾病和紊乱。

  公开号：

  US20090048290A1

文献信息

• (2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl-benzofuran-2-carboxamide, novel salt forms, and methods of use thereof
  申请人：Targacept, Inc.

  公开号：US07981906B2

  公开（公告）日：2011-07-19

  The present invention relates to (2S,3R)—N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)benzofuran-2-carboxamide, novel salt forms thereof, methods for its preparation, novel intermediates, and methods for treating a wide variety of conditions and disorders, including those associated with dysfunction of the central and autonomic nervous systems.

  本发明涉及（2S，3R）-N-（2-（（3-吡啶基）甲基）-1-氮杂双环[2.2.2]辛-3-基）苯并呋喃-2-羧酰胺及其新的盐形式，其制备方法，新的中间体以及治疗各种与中枢神经系统和自主神经系统功能障碍相关的疾病和症状的方法。
• (2S,3R)-N-(2-((3-PYRIDINYL)METHYL)-1-AZABICYCLO[2.2.2]OCT-3-YL)BENZOFURN-2-CARBOXAMIDE, NOVEL SALT FORMS, AND METHODS OF USE THEREOF
  申请人：Mazurov Anatoly A.

  公开号：US20120129885A1

  公开（公告）日：2012-05-24

  The present invention relates to (2S,3R)—N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)benzofuran-2-carboxamide, novel salt forms thereof, methods for its preparation, novel intermediates, and methods for treating a wide variety of conditions and disorders, including those associated with dysfunction of the central and autonomic nervous systems.

  本发明涉及（2S,3R）-N-（2-（（3-吡啶基）甲基）-1-氮杂双环[2.2.2]辛-3-基）苯并呋喃-2-羧酰胺及其新的盐形式、制备方法、新的中间体和用于治疗各种疾病和紊乱的方法，包括与中枢和自主神经系统功能障碍相关的疾病和紊乱。
• (2S,3R)-N-(2-((3-PYRIDINYL)METHYL)-1-AZABICYCLO[2.2.2]OCT-3-YL)BENZYOFURN-2-CARBOXAMIDE, NOVEL SALT FORMS, AND METHODS OF USE THEREOF
  申请人：Targacept,Inc.

  公开号：US20140024673A1

  公开（公告）日：2014-01-23

  The present invention relates to (2S,3R)—N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)benzofuran-2-carboxamide, novel salt forms thereof, methods for its preparation, novel intermediates, and methods for treating a wide variety of conditions and disorders, including those associated with dysfunction of the central and autonomic nervous systems.

  本发明涉及(2S,3R)—N-(2-((3-吡啶基)甲基)-1-氮杂双环[2.2.2]辛-3-基)苯并呋喃-2-羧酰胺、其新的盐形式、其制备方法、新的中间体，以及治疗各种与中枢神经系统和自主神经系统功能失调相关的疾病和症状的方法。
• (2S,3R)-N-2-3-PYRIDINYLMETHYL-1-AZABICYCLO 2.2.2 OCT-3-YL BENZOFURAN-2-CARBOXAMIDE, NOVEL SALT FORMS, AND METHODS OF USE THEREOF
  申请人：Targacept, Inc.

  公开号：US20150045386A1

  公开（公告）日：2015-02-12

  The present invention relates to (2S,3R)—N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)benzofuran-2-carboxamide, novel salt forms thereof, methods for its preparation, novel intermediates, and methods for treating a wide variety of conditions and disorders, including those associated with dysfunction of the central and autonomic nervous systems.

  本发明涉及(2S,3R)-N-(2-((3-吡啶基)甲基)-1-氮杂双环[2.2.2]辛-3-基)苯并呋喃-2-羧酰胺及其新的盐形式、制备方法、新的中间体以及治疗各种与中枢和自主神经系统功能障碍相关的疾病和症状的方法。
• (2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)benzofurn-2-carboxamide, novel salt forms, and methods of use thereof
  申请人：Bencherif Merouane

  公开号：US08541446B2

  公开（公告）日：2013-09-24

  The present invention relates to (2S,3R)—N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)benzofuran-2-carboxamide, novel salt forms thereof, methods for its preparation, novel intermediates, and methods for treating a wide variety of conditions and disorders, including those associated with dysfunction of the central and autonomic nervous systems.

  本发明涉及（2S,3R）-N-（2-（（3-吡啶基）甲基）-1-氮杂双环[2.2.2]辛-3-基）苯并呋喃-2-羧酰胺及其新的盐形式、其制备方法、新的中间体以及治疗多种疾病和紊乱的方法，包括与中枢和自主神经系统功能障碍有关的疾病和紊乱。