5-cycloprop-2-en-1-ylidene-7-(difluoromethyl)-N-(2-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-cycloprop-2-en-1-ylidene-7-(difluoromethyl)-N-(2-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
• 化学式: C₂₃H₁₆F₂N₄OS
• 分子量: 434.5
• InChiKey: VDCUVLIHXOWQRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  82
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• TREATING NEURODEGENERATIVE DISEASE
  申请人：The Brigham and Women's Hospital, Inc.

  公开号：EP3080602A2

  公开（公告）日：2016-10-19
• [EN] TREATING NEURODEGENERATIVE DISEASE<br/>[FR] TRAITEMENT DE MALADIE NEURODÉGÉNÉRATIVE
  申请人：BRIGHAM & WOMENS HOSPITAL

  公开号：WO2015089443A2

  公开（公告）日：2015-06-18

  Methods of diagnosing or determining risk of developing MS, e.g., secondary progressive multiple sclerosis (SPMS) in a subject, based on detecting a level of lactosylceramide (LacCer). Also disclosed are methods of treating SPMS, e.g., including administration of an inhibitor of LacCer synthesis.