(S)-4-[(S)-3-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-1-methoxymethyl-propyl]-2-methyl-3-oxo-piperazine-1-carboxylic acid (3-chloro-4-fluoro-phenyl)-amide | 1205541-50-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S)-4-[(S)-3-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-1-methoxymethyl-propyl]-2-methyl-3-oxo-piperazine-1-carboxylic acid (3-chloro-4-fluoro-phenyl)-amide
• 英文别名: (2S)-N-(3-chloro-4-fluorophenyl)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide
• CAS: 1205541-50-9
• 化学式: C₂₄H₃₄ClFN₄O₄
• 分子量: 497.01
• InChiKey: GNNGKKGPPCKMGI-DJPFJPOOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  85.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (S)-4-[(S)-3-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-1-methoxymethyl-propyl]-2-methyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester 、 异氰酸- 3-氯-4-氟苯酯 在 盐酸 、 N-甲基吗啉 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以95%的产率得到(S)-4-[(S)-3-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-1-methoxymethyl-propyl]-2-methyl-3-oxo-piperazine-1-carboxylic acid (3-chloro-4-fluoro-phenyl)-amide
  参考文献：
  名称：

  NOVEL HETEROCYCLYL COMPOUNDS

  摘要：

  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。

  公开号：

  US20100016282A1

文献信息

• Heterocyclyl compounds
  申请人：Hoffmann-La Roche Inc.

  公开号：US08071586B2

  公开（公告）日：2011-12-06

  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.

  本发明涉及具有式（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。
• 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.
• 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。