(2E,4E)-3-methyl-5-[(1S)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]penta-2,4-dienoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (2E,4E)-3-methyl-5-[(1S)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]penta-2,4-dienoic acid
• 化学式: C₂₃H₃₀O₂
• 分子量: 338.5
• InChiKey: LPTXMLLINSEGDC-HRKHCRIGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] TREATMENT OF GRAFT-VERSUS-HOST DISEASE DISORDERS USING RAR ANTAGONISTS<br/>[FR] TRAITEMENT DE TROUBLES DE LA MALADIE DU GREFFON CONTRE L'HÔTE À L'AIDE D'ANTAGONISTES DE RAR
  申请人：IO THERAPEUTICS INC

  公开号：WO2014110165A1

  公开（公告）日：2014-07-17

  The present specification provides RAR antagonist compounds, compositions comprising such RAR antagonists, and methods using such compounds and compositions to treat a graft-versus-host disorder, transplant rejection, and inflammation associated with a graft-versus-host disorder or transplant rejection, as well as use of such RAR antagonists to manufacture a medicament and use of such compounds and compositions to treat a graft- versus-host disorder, transplant rejection, and inflammation associated with a graft-versus-host disorder or transplant rejection. Also disclosed are combinations of RAR antagonists and RXR agonists in the disclosed methods and uses.