4-((4-bromothiophen-2-yl)methyl)-2.4-dihydro-3H-1,2,4-triazol-3-one

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 4-((4-bromothiophen-2-yl)methyl)-2.4-dihydro-3H-1,2,4-triazol-3-one
• 英文别名: 4-[(4-bromo-2-thienyl)methyl]-1H-1,2,4-triazol-5-one；4-[(4-bromothiophen-2-yl)methyl]-1H-1,2,4-triazol-5-one
• 化学式: C₇H₆BrN₃OS
• 分子量: 260.114
• InChiKey: KVZVRJSHNLJRAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  72.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-((4-bromothiophen-2-yl)methyl)-2.4-dihydro-3H-1,2,4-triazol-3-one 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 tert-butyl (E)-(2-((4-((4-(1,3-benzodioxol-5-yl)thiophen-2-yl)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl)-3-fluoroallyl)carbamate
  参考文献：
  名称：

  WO2019180646A5

  摘要：

  公开号：

  WO2019180646A5
• 作为产物：
  描述：

  4-溴-2-氨甲基噻吩 在 吡啶 、 一水合肼 作用下， 以 四氢呋喃 、 丙醇 、 乙醇 、 乙酸乙酯 为溶剂， 反应 11.5h， 生成 4-((4-bromothiophen-2-yl)methyl)-2.4-dihydro-3H-1,2,4-triazol-3-one
  参考文献：
  名称：

  WO2019180646A5

  摘要：

  公开号：

  WO2019180646A5

文献信息

• Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same
  申请人：YUHAN CORPORATION

  公开号：US10995086B2

  公开（公告）日：2021-05-04

  The present technology provides triazolone derivatives or pharmaceutically acceptable salts thereof, preparation processes thereof, pharmaceutical compositions comprising the same, and the use thereof. The triazolone derivatives or their pharmaceutically acceptable salts exhibit selective inhibitory activity on VAP-1 and therefore can be usefully applied, e.g., for the treatment and prophylaxis of nonalcoholic hepatosteatosis (NASH).

  本技术提供了三唑酮衍生物或其药学上可接受的盐、其制备工艺、包含三唑酮衍生物或其药学上可接受的盐的药物组合物及其用途。三唑酮衍生物或其药学上可接受的盐类对 VAP-1 具有选择性抑制活性，因此可用于治疗和预防非酒精性肝病（NASH）等。
• 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same
  申请人：YUHAN CORPORATION

  公开号：US11168073B2

  公开（公告）日：2021-11-09

  The present technology provides 3,3-difluoroallylamines or pharmaceutically acceptable salts thereof, preparation processes thereof, pharmaceutical compositions comprising the same, and uses thereof. The 3,3-difluoroallylamines or their pharmaceutically acceptable salts exhibit potent inhibitory activity on VAP-1 and therefore can be usefully applied, e.g., for the treatment and prophylaxis of nonalcoholic hepatosteatosis (NASH).

  本技术提供了3,3-二氟烯丙基胺或其药学上可接受的盐、其制备工艺、包含其的药物组合物及其用途。3,3-二氟烯丙基胺或其药学上可接受的盐对 VAP-1 具有强效抑制活性，因此可有效地应用于非酒精性肝病（NASH）的治疗和预防等方面。
• NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME
  申请人：YUHAN CORPORATION

  公开号：US20190322655A1

  公开（公告）日：2019-10-24

  The present technology provides triazolone derivatives or pharmaceutically acceptable salts thereof, preparation processes thereof, pharmaceutical compositions comprising the same, and the use thereof. The triazolone derivatives or their pharmaceutically acceptable salts exhibit selective inhibitory activity on VAP-1 and therefore can be usefully applied, e.g., for the treatment and prophylaxis of nonalcoholic hepatosteatosis (NASH).
• 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME
  申请人：YUHAN CORPORATION

  公开号：US20200223827A1

  公开（公告）日：2020-07-16

  The present technology provides 3,3-difluoroallylamines or pharmaceutically acceptable salts thereof, preparation processes thereof, pharmaceutical compositions comprising the same, and uses thereof. The 3,3-difluoroallylamines or their pharmaceutically acceptable salts exhibit potent inhibitory activity on VAP-1 and therefore can be usefully applied, e.g., for the treatment and prophylaxis of nonalcoholic hepatosteatosis (NASH).
• TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME
  申请人：YUHAN CORPORATION

  公开号：US20210317110A1

  公开（公告）日：2021-10-14

  The present technology provides triazolone derivatives or pharmaceutically acceptable salts thereof, preparation processes thereof, pharmaceutical compositions comprising the same, and the use thereof. The triazolone derivatives or their pharmaceutically acceptable salts exhibit selective inhibitory activity on VAP-1 and therefore can be usefully applied, e.g. for the treatment and prophylaxis of nonalcoholic hepatosteatosis (NASH).