[acetyl-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]-1H-pyrazin-2-yl]amino]methyl dihydrogen phosphate

• 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: [acetyl-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]-1H-pyrazin-2-yl]amino]methyl dihydrogen phosphate
• 化学式: C₂₄H₃₁N₁₀O₇P
• 分子量: 602.5
• InChiKey: VAHKEIRVYCTMQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  199
• 氢给体数：
  3
• 氢受体数：
  13

文献信息

• INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL
  申请人：Cubist Pharmaceuticals, Inc.

  公开号：EP2945947A1

  公开（公告）日：2015-11-25
• [EN] INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL<br/>[FR] INHIBITION DU CANAL IONIQUE À POTENTIEL DE RÉCEPTEUR TRANSITOIRE A1
  申请人：CUBIST PHARM INC

  公开号：WO2014113671A1

  公开（公告）日：2014-07-24

  Provided herein are pharmaceutical compositions and methods for the treatment of pain, respiratory conditions, including chronic or inflammatory pain, asthma or COPD as well as inhibiting the Transient Receptor Potential Al (TRPA1 ) ion channel. The compounds include tetrahydropurinyl alpha-methyl amide derivatives containing heterocyclic moieties such as pyridinyl, pyrimidinyl, pyrazinyl, and pyrrolidinyl. One such example includes (S)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-(2-((S)-2-(trifluoromethyl)pyrrolidin-1-yl)pyrimidin-5-yl)pyrazin-2-yl)propanamide.