4-[(isoquinolin-7-yloxy)methyl]benzoic acid | 779990-88-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 4-[(isoquinolin-7-yloxy)methyl]benzoic acid
• 英文别名: 4-(isoquinolin-7-yloxymethyl)benzoic acid
• CAS: 779990-88-4
• 化学式: C₁₇H₁₃NO₃
• 分子量: 279.295
• InChiKey: AJYPNTYFOLETHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲基磺酰胺 、 4-[(isoquinolin-7-yloxy)methyl]benzoic 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-) 作用下， 以 二氯甲烷 为溶剂， 反应 18.17h， 生成 4-[(isoquinol-7-yloxy)methyl]-N-(methylsulfonyl)benzamide
  参考文献：
  名称：

  [EN] N- SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE - GATED SODIUM CHANNELS
  [FR] COMPOSÉS CHIMIQUES

  摘要：

  公开号：

  WO2012007869A3

文献信息

• Chemical Compounds
  申请人：Brown Alan Daniel

  公开号：US20130109708A1

  公开（公告）日：2013-05-02

  The invention relates to sulfonamide derivatives, to their use in medicine, to 5 compositions containing them, to processes for their preparation and to intermediates used in such processes. More particularly the invention relates to a new sulfonamide Nav1.7 inhibitors of formula (I):10 X NH O S O O R1 R2 R5 R4 R3 Het1 (I) or a pharmaceutically acceptable salt thereof, wherein X, Het1, R1, R2, R3, R4 and R5 are as defined in the description. 15 Nav 1.7 inhibitors are potentially useful in the treatment of a wide range of disorders, particularly pain.

  本发明涉及磺酰胺衍生物，其在医药上的应用，包含它们的组合物，它们的制备过程以及用于此类过程的中间体。更具体地，本发明涉及一种新的磺酰胺Nav1.7抑制剂，其化学式为(I)：其中X、Het1、R1、R2、R3、R4和R5如描述中所定义，或其药学上可接受的盐。Nav1.7抑制剂在治疗广泛的疾病，特别是疼痛方面具有潜在的用途。
• CHEMICAL COMPOUNDS
  申请人：Pfizer Limited

  公开号：EP2593431A2

  公开（公告）日：2013-05-22
• N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS
  申请人：Pfizer Limited

  公开号：EP2593431B1

  公开（公告）日：2014-11-19
• US9102621B2
  申请人：——

  公开号：US9102621B2

  公开（公告）日：2015-08-11
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSÉS CHIMIQUES
  申请人：PFIZER LTD

  公开号：WO2012007869A2

  公开（公告）日：2012-01-19

  PC71695A Abstract Chemical Compounds The invention relates to sulfonamide derivatives, to their use in medicine, to 5 compositions containing them, to processes for their preparation and to intermediates used in such processes. More particularly the invention relates to a new sulfonamide Nav1.7 inhibitors of formula (I):10 X NH O S O O R1 R2 R5 R4 R3 Het1 (I) or a pharmaceutically acceptable salt thereof, wherein X, Het1, R1, R2, R3, R4 and R5 are as defined in the description. 15 Nav 1.7 inhibitors are potentially useful in the treatment of a wide range of disorders, particularly pain.