(9CI)-六氢吡咯并[1,2-a]吡嗪-2(1H)-羧酰胺 | 121776-32-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: (9CI)-六氢吡咯并[1,2-a]吡嗪-2(1H)-羧酰胺
• 英文名称: Hexahydropyrrolo[1,2-A]pyrazine-2(1H)-carboxamide
• 英文别名: 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
• CAS: 121776-32-7
• 化学式: C₈H₁₅N₃O
• 分子量: 169.22
• InChiKey: JCJFVWUFIJJDDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  49.6
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II<br/>[FR] NOUVEAUX COMPOSÉS II ANTAGONISTES DU RÉCEPTEUR DE LA NEUROKININE 1
  申请人：LEO PHARMA AS

  公开号：WO2015024203A1

  公开（公告）日：2015-02-26

  The invention relates novel NK1 Receptor antagonists represented in formula (A), wherein R1 and R2 independently are selected from the group consisting of (C1-4)alkyl, (C1-4)haloalkyl, (C1-4) alkoxy, CD3 or halogen; R3 is selected from the group consisting of hydrogen, (C1-4)alkyl, (C1-4)haloalkyl and (C1-4)hydroxyalkyl; R4 is selected from the group consisting of phenyl, 5-membered heteroaryl and 6-membered heteroaryl; R5 and R6 are independently selected from the group consisting of hydrogen, (C1-4)alkyl, (C1-4)hydroxyalkyl and (C1-4)haloalkyl and X and Y are independently selected from the group consisting of CH and N. The invention furthermore relates to intermediates for the preparation of said compounds, to their use in therapy, and to pharmaceutical compositions comprising said compounds.

  该发明涉及在式（A）中表示的新型NK1受体拮抗剂，其中R1和R2独立地选自（C1-4）烷基，（C1-4）卤代烷基，（C1-4）氧烷基，CD3或卤素的群组; R3选自氢，（C1-4）烷基，（C1-4）卤代烷基和（C1-4）羟基烷基的群组; R4选自苯基，5-成员杂环芳基和6-成员杂环芳基的群组; R5和R6独立地选自氢，（C1-4）烷基，（C1-4）羟基烷基和（C1-4）卤代烷基的群组，X和Y独立地选自CH和N的群组。该发明还涉及制备所述化合物的中间体，它们在治疗中的使用，以及包含所述化合物的药物组合物。
• NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II
  申请人：LEO PHARMA A/S

  公开号：EP3036236B1

  公开（公告）日：2017-06-07