4-[[3-[Cyclopropyl(difluoro)methyl]phenyl]methyl-(4-methylisoquinolin-3-yl)sulfamoyl]benzoic acid | 1400700-65-3

• 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-[[3-[Cyclopropyl(difluoro)methyl]phenyl]methyl-(4-methylisoquinolin-3-yl)sulfamoyl]benzoic acid
• 英文别名: 4-[[3-[cyclopropyl(difluoro)methyl]phenyl]methyl-(4-methylisoquinolin-3-yl)sulfamoyl]benzoic acid
• CAS: 1400700-65-3
• 化学式: C₂₈H₂₄F₂N₂O₄S
• 分子量: 522.572
• InChiKey: NYJQZRAUHMEJBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  96
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY
  申请人：TSUZUKI Yasuyuki

  公开号：US20150218143A1

  公开（公告）日：2015-08-06

  Sulfonamide compounds having TRPM8 antagonistic activity are provided. A sulfonamide compound of formula (I) or a pharmaceutically acceptable salt thereof, or a prodrug thereof: wherein Ring A is bicyclic aromatic heterocycle comprised of (a) pyridine is condensed with benzene; or (b) pyridine is condensed with monocyclic aromatic heterocycle, and Ring A binds to a sulfonylamino moiety on a carbon atom adjacent to a nitrogen atom of the pyridine ring constituting Ring A, Ring B is (a) monocyclic or bicyclic aromatic hydrocarbon; (b) monocyclic or bicyclic alicyclic hydrocarbon; (c) monocyclic or bicyclic aromatic heterocycle; or (d) monocyclic or bicyclic non-aromatic heterocycle, Ring C is (a) benzene; or (b) monocyclic aromatic heterocycle, and other symbols are the same as defined in the specification.

  提供具有TRPM8拮抗活性的磺胺类化合物。其中一种磺胺化合物为式（I）或其药学上可接受的盐或前药：其中环A是由（a）吡啶与苯环融合;或（b）吡啶与单环芳杂环融合的双环芳香杂环，环A与构成环A的吡啶环上的氮原子相邻的碳原子上的磺酰氨基团结合，环B是（a）单环或双环芳香烃；（b）单环或双环脂环烃；（c）单环或双环芳杂环；或（d）单环或双环非芳杂环，环C是（a）苯环；或（b）单环芳杂环，其他符号与规范中定义的相同。
• US8987445B2
  申请人：——

  公开号：US8987445B2

  公开（公告）日：2015-03-24
• US9540360B2
  申请人：——

  公开号：US9540360B2

  公开（公告）日：2017-01-10