(4S)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (4S)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
• 化学式: C₃₁H₃₅F₇N₄O₂
• 分子量: 628.6
• InChiKey: XWNBGDJPEXZSQM-VVKPSUHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  44
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  47.1
• 氢给体数：
  0
• 氢受体数：
  10

文献信息

• [EN] AN NK-1 RECEPTOR ANTAGONIST FOR TREATING A DISEASE SELECTING FROM SEPSIS, SEPTIC SHOCK,, ACUTE RESPIRATORY DISTRESS SYNDROME (ARDS) OR MULTIPLE ORGAN DYSFUNCTION SYNDROME (MODS)<br/>[FR] ANTAGONISTE DU RÉCEPTEUR DE NK-1 POUR LE TRAITEMENT D'UNE MALADIE CHOISIE PARMI UNE SEPTICÉMIE, UN CHOC SEPTIQUE, UN SYNDROME DE DÉTRESSE RESPIRATOIRE AIGUË (ARDS) OU UN SYNDROME DE DYSFONCTIONNEMENT DES ORGANES MULTIPLES (MODS)
  申请人：NERRE THERAPEUTICS LTD

  公开号：WO2021198255A1

  公开（公告）日：2021-10-07

  This invention relates to the new use of neurokinin-1(NK-1) receptor antagonists for treating sepsis, septic shock, systemic inflammatory response syndrome (SIRS), acute respiratory distress syndrome (ARDS) or multiple organ dysfunction syndrome (MODS). The invention further relates to pharmaceutical compositions comprising NK-1 receptor antagonists and combinations with one or more therapeutic agents, for such uses.