(3S,6S,8aS)-3-[3-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-3-oxo-propyl]-6-methyl-hexahydro-oxazolo[3,2-a]pyrazin-5-one | 1282532-43-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌嗪基哌啶类
• 英文名称: (3S,6S,8aS)-3-[3-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-3-oxo-propyl]-6-methyl-hexahydro-oxazolo[3,2-a]pyrazin-5-one
• 英文别名: (3S,6S,8aS)-3-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-3-oxopropyl]-6-methyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-5-one
• CAS: 1282532-43-7
• 化学式: C₁₇H₂₇N₃O₄
• 分子量: 337.419
• InChiKey: KDCSFPRHBRIVPE-XPCVCDNBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  82.1
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• [EN] BICYCLIC HETEROCYCLES AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS<br/>[FR] HÉTÉROCYCLES BICYCLIQUES ET LEUR UTILISATION EN TANT QU'ANTAGONISTES DU RÉCEPTEUR CCR2
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011042399A1

  公开（公告）日：2011-04-14

  The invention is concerned with novel bicyclic compounds of formula (I), wherein A, L, E, F, G, R1, R2, R3, R4, R5, R6, R7, V, W and n are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds are antagonists of CCR2 receptor, CCR5 receptor and/or CCR3 receptor and can be used as medicaments.

  这项发明涉及具有以下结构式（I）的新颖双环化合物，其中A、L、E、F、G、R1、R2、R3、R4、R5、R6、R7、V、W和n如描述和权利要求中所定义，并且其生理上可接受的盐。这些化合物是CCR2受体、CCR5受体和/或CCR3受体的拮抗剂，可用作药物。
• NOVEL BICYCLIC COMPOUNDS
  申请人：Aebi Johannes

  公开号：US20110082294A1

  公开（公告）日：2011-04-07

  The invention is concerned with novel bicyclic compounds of formula (I), wherein A, L, E, F, G, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , V, W and n are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds are antagonists of CCR2 receptor, CCR5 receptor and/or CCR3 receptor and can be used as medicaments.

  该发明涉及具有以下结构的新型双环化合物（I），其中A、L、E、F、G、R1、R2、R3、R4、R5、R6、R7、V、W和n的定义如描述和索赔中所定义，并且其生理上可接受的盐。这些化合物是CCR2受体、CCR5受体和/或CCR3受体的拮抗剂，可用作药物。
• BICYCLIC HETEROCYCLES AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2486042A1

  公开（公告）日：2012-08-15
• US8471004B2
  申请人：——

  公开号：US8471004B2

  公开（公告）日：2013-06-25