5-fluoro-3-[(1R)-1-{7-[(methylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl}ethyl]-2-oxo-N-1,2,4-thiadiazol-5-yl-2,3-dihydro-1,3-benzooxazole-6-sulfonamide | 1432513-87-5

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 5-fluoro-3-[(1R)-1-{7-[(methylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl}ethyl]-2-oxo-N-1,2,4-thiadiazol-5-yl-2,3-dihydro-1,3-benzooxazole-6-sulfonamide
• 英文别名: 5-fluoro-3-[(1R)-1-{7-[(methylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl}ethyl]-2-oxo-N-1,2,4-thiadiazol-5-yl-2,3-dihydro-1,3-benzoxazole-6-sulfonamide；5-fluoro-3-[(1R)-1-{7-[(methylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalen-yl}ethyl]-2-oxo-N-1,2,4-thiadiazol-5-yl-2,3-dihydro-1,3-benzoxazole-6-sulfonamide；5-fluoro-3-[(1R)-1-[7-(methanesulfonamido)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide
• CAS: 1432513-87-5
• 化学式: C₂₂H₂₂FN₅O₆S₃
• 分子量: 567.643
• InChiKey: CAIHBLFVGQWMDJ-PUODRLBUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  193
• 氢给体数：
  2
• 氢受体数：
  12

文献信息

• [EN] BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS<br/>[FR] COMPOSÉS DE BENZOXAZOLINONE AYANT UNE ACTIVITÉ SÉLECTIVE DANS DES CANAUX SODIQUES VOLTAGE-DÉPENDANTS
  申请人：MERCK SHARP & DOHME

  公开号：WO2013063459A1

  公开（公告）日：2013-05-02

  Disclosed are compounds of Formula (A) or a salt thereof, wherein "Het", Ra, and Rb are defined herein, which have properties for blocking Nav 1.7 ion channels found in peripheral and sympathetic neurons. Also described are pharmaceutical formulations comprising the compounds of Formula (A) or their salts, and methods of treating neuropathic pain disorders using the same.

  公开了Formula (A)的化合物或其盐，其中"Het"，Ra和Rb在此处定义，具有阻断外周和交感神经元中发现的Nav 1.7离子通道的特性。还描述了包含Formula (A)的化合物或其盐的药物配方，以及使用它们治疗神经病性疼痛障碍的方法。
• BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20140303143A1

  公开（公告）日：2014-10-09

  Disclosed are compounds of Formula (A) or a salt thereof, wherein “Het”, R a , and R b are defined herein, which have properties for blocking Na v 1.7 ion channels found in peripheral and sympathetic neurons. Also described are pharmaceutical formulations comprising the compounds of Formula (A) or their salts, and methods of treating neuropathic pain disorders using the same.

  本发明涉及化合物(A)或其盐，其中“Het”，Ra和Rb的定义如下，具有阻断周围和交感神经元中发现的Nav1.7离子通道的特性。还描述了包括化合物(A)或其盐的制药配方，并使用它们治疗神经病性疼痛障碍的方法。
• US9273040B2
  申请人：——

  公开号：US9273040B2

  公开（公告）日：2016-03-01