2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)-N-(4-(methylthio)-3-(trifluoromethyl)phenyl)acetamide | 1257240-86-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)-N-(4-(methylthio)-3-(trifluoromethyl)phenyl)acetamide
• 英文别名: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]acetamide
• CAS: 1257240-86-0
• 化学式: C₁₇H₁₆F₃N₅O₃S
• 分子量: 427.407
• InChiKey: JRTJKKJAQRTKMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• [EN] COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO TRPA1<br/>[FR] COMPOSÉS UTILES DANS LE TRAITEMENT DE TROUBLES ASSOCIÉS À TRPA1
  申请人：HYDRA BIOSCIENCES INC

  公开号：WO2010138879A1

  公开（公告）日：2010-12-02

  Compounds and compositions for treating disorders related to TRPAl are described herein.

  这里描述了用于治疗与TRPAl相关疾病的化合物和组合物。
• Use of TRPA1 Antagonists to Prevent or Treat Infections Caused by Biological-Warfare Agents
  申请人：Moran Magdalene M.

  公开号：US20130310345A1

  公开（公告）日：2013-11-21

  Provided are methods for preventing and treating injuries caused by exposure to biological warfare agents. The methods include administering to a subject in need thereof an effective amount of a TRPA1 antagonist or a pharmaceutically acceptable salt thereof. In an embodiment the TRPA1 antagonist is selected from the group consisting of compounds of formula I and compounds of formula II as described herein.
• USE OF TRPA1 ANTAGONISTS TO PREVENT OR TREAT INFECTIONS CAUSED BY BIOLOGICAL-WARFARE AGENTS
  申请人：HYDRA BIOSCIENCES, INC.

  公开号：US20170151248A1

  公开（公告）日：2017-06-01

  Provided are methods for preventing and treating injuries caused by exposure to biological warfare agents. The methods include administering to a subject in need thereof an effective amount of a TRPA1 antagonist or a pharmaceutically acceptable salt thereof. In an embodiment the TRPA1 antagonist is selected from the group consisting of compounds of formula I and compounds of formula II as described herein.
• US9260430B2
  申请人：——

  公开号：US9260430B2

  公开（公告）日：2016-02-16