4-{1-Butyl-9-[1-(4,6-dimethyl-pyrimidine-5-carbonyl)-4-methyl-piperidin-4-yl]-4-oxo-3,9-diaza-spiro[5.5]undec-3-ylmethyl}-piperidine-1-carboxylic acid methyl ester | 1194596-77-4

• 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: 4-{1-Butyl-9-[1-(4,6-dimethyl-pyrimidine-5-carbonyl)-4-methyl-piperidin-4-yl]-4-oxo-3,9-diaza-spiro[5.5]undec-3-ylmethyl}-piperidine-1-carboxylic acid methyl ester
• 英文别名: Methyl 4-[(1-butyl-9-{1-[(4,6-dimethylpyrimidin-5-yl)carbonyl]-4-methylpiperidin-4-yl}-4-oxo-3,9-diazaspiro[5.5]undec-3-yl)methyl]piperidine-1-carboxylate；methyl 4-[[5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-2-oxo-3,9-diazaspiro[5.5]undecan-3-yl]methyl]piperidine-1-carboxylate
• CAS: 1194596-77-4
• 化学式: C₃₄H₅₄N₆O₄
• 分子量: 610.841
• InChiKey: AMFSKCMGBWMHRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  99.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-2-one 、 氯甲酸甲酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-{1-Butyl-9-[1-(4,6-dimethyl-pyrimidine-5-carbonyl)-4-methyl-piperidin-4-yl]-4-oxo-3,9-diaza-spiro[5.5]undec-3-ylmethyl}-piperidine-1-carboxylic acid methyl ester
  参考文献：
  名称：

  Heterocyclic antiviral compounds

  摘要：

  本发明涉及公式I的哌啶衍生物，其中R1，R2和R3如本文所定义，可用于治疗多种疾病，包括涉及CCR5受体调节的疾病。当前衍生物可用于治疗或预防的疾病包括HIV和遗传相关的逆转录病毒感染（及由此引起的获得性免疫缺陷综合症，艾滋病），类风湿性关节炎，实体器官移植排斥（移植物抗宿主病），哮喘和COPR。

  公开号：

  US20090281133A1

文献信息

• HETEROCYCLIC ANTIVIRAL COMPOUNDS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2285807A1

  公开（公告）日：2011-02-23
• [EN] HETEROCYCLIC ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ANTIVIRAUX
  申请人：HOFFMANN LA ROCHE

  公开号：WO2009135788A1

  公开（公告）日：2009-11-12

  This invention relates to piperidine derivatives of formula (I) wherein R1, R2 and R3 are as defined herein useful in the treatment of a variety of disorders, including those in which the modulation of CCR5 receptors is implicated. Disorders that may be treated or prevented by the present derivatives include HIV and genetically related retroviral infections (and the resulting acquired immune deficiency syndrome, AIDS), rheumatoid arthritis, solid organ transplant reject (graft vs. host disease), asthma and COPR.
• Heterocyclic antiviral compounds
  申请人：Rotstein David Mark

  公开号：US20090281133A1

  公开（公告）日：2009-11-12

  This invention relates to piperidine derivatives of formula I wherein R 1 , R 2 and R 3 are as defined herein useful in the treatment of a variety of disorders, including those in which the modulation of CCR5 receptors is implicated. Disorders that may be treated or prevented by the present derivatives include HIV and genetically related retroviral infections (and the resulting acquired immune deficiency syndrome, AIDS), rheumatoid arthritis, solid organ transplant reject (graft vs. host disease), asthma and COPR.

  本发明涉及公式I的哌啶衍生物，其中R1，R2和R3如本文所定义，可用于治疗多种疾病，包括涉及CCR5受体调节的疾病。当前衍生物可用于治疗或预防的疾病包括HIV和遗传相关的逆转录病毒感染（及由此引起的获得性免疫缺陷综合症，艾滋病），类风湿性关节炎，实体器官移植排斥（移植物抗宿主病），哮喘和COPR。