(S)-4-[(S)-2-hydroxy-3-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-propyl]-2-methyl-3-oxo-piperazine-1-carboxylic acid (3-chloro-phenyl)-amide | 1205541-93-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: (S)-4-[(S)-2-hydroxy-3-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-propyl]-2-methyl-3-oxo-piperazine-1-carboxylic acid (3-chloro-phenyl)-amide
• 英文别名: (2S)-N-(3-chlorophenyl)-4-[(2S)-2-hydroxy-3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-methyl-3-oxopiperazine-1-carboxamide
• CAS: 1205541-93-0
• 化学式: C₂₂H₃₁ClN₄O₄
• 分子量: 450.966
• InChiKey: PZOPAYCHEDYJPH-ZYSHUDEJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  96.4
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• NOVEL HETEROCYCLYL COMPOUNDS
  申请人：Aebi Johannes

  公开号：US20100016282A1

  公开（公告）日：2010-01-21

  The invention is concerned with novel heterocyclyl compounds of formula (I) wherein A, X, Y 1 , Y 2 , Y 3 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , m, n and p 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.

  该发明涉及式(I)的新异环丙基化合物，其中A、X、Y1、Y2、Y3、R3、R4、R5、R6、R7、R8、R9、R10、m、n和p的定义如描述和索赔中所述，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，可以用作药物。
• NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2307387A1

  公开（公告）日：2011-04-13
• US8071586B2
  申请人：——

  公开号：US8071586B2

  公开（公告）日：2011-12-06
• [EN] NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE<br/>[FR] NOUVEAUX COMPOSÉS HÉTÉROCYCLIQUES POUR LE TRAITEMENT D'UNE MALADIE CARDIOVASCULAIRE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010006938A1

  公开（公告）日：2010-01-21

  The invention is concerned with novel heterocyclyl compounds of formula (I); wherein A, X, Y1, Y2, Y3, R3, R4, R5, R6, R7, R8, R9, R10, m, n and p 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.