(S)-4-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-N,N-dimethyl-2-[7-oxo-4-(3-trifluoromethyl-phenyl)-[1,4]diazepan-1-yl]-butyramide | 1206600-17-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (S)-4-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-N,N-dimethyl-2-[7-oxo-4-(3-trifluoromethyl-phenyl)-[1,4]diazepan-1-yl]-butyramide
• 英文别名: (2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-N,N-dimethyl-2-[7-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]butanamide
• CAS: 1206600-17-0
• 化学式: C₂₅H₃₅F₃N₄O₃
• 分子量: 496.573
• InChiKey: XFUDLYAMGXSMTF-LEWJYISDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  67.3
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (S)-N,N-dimethyl-4-oxo-2-[7-oxo-4-(3-trifluoromethyl-phenyl)-[1,4]diazepan-1-yl]-butyramide 、 (S)-6-aza-spiro[2.5]octan-4-ol hydrochloride 以gave the title compound in 57% yield as white foam的产率得到(S)-4-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-N,N-dimethyl-2-[7-oxo-4-(3-trifluoromethyl-phenyl)-[1,4]diazepan-1-yl]-butyramide
  参考文献：
  名称：

  Heterocyclyl compounds

  摘要：

  本发明涉及式（I）的新型杂环化合物：其中A，X，R3，R4，R5，R6，R7，R8，R9，R10，m，n和p在说明书和权利要求书中已定义，并且其生理学上可接受的盐。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。

  公开号：

  US08138175B2

文献信息

• NOVEL HETEROCYCLYL COMPOUNDS
  申请人：Adam Jean-Michel

  公开号：US20100022518A1

  公开（公告）日：2010-01-28

  The invention is concerned with novel heterocyclyl compounds of formula (I): wherein A, X, 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 may be used as medicaments.

  这项发明涉及式(I)的新异环烷基化合物：其中A、X、R3、R4、R5、R6、R7、R8、R9、R10、m、n和p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。
• DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2321285A1

  公开（公告）日：2011-05-18
• JP2011529095A
  申请人：——

  公开号：JP2011529095A

  公开（公告）日：2011-12-01
• US8138175B2
  申请人：——

  公开号：US8138175B2

  公开（公告）日：2012-03-20
• [EN] DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS<br/>[FR] DÉRIVÉS DE DIAZÉPANE ET DE PIPÉRAZINE MODULATEURS DES RÉCEPTEURS DES CHIMIOKINES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010012619A1

  公开（公告）日：2010-02-04

  The invention is concerned with novel heterocyclyl compounds of formula (I) wherein A, X, 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.