3-endo-(8-acetyl-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-3H-imidazo[4,5-c]pyridine | 612482-58-3

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: 3-endo-(8-acetyl-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-3H-imidazo[4,5-c]pyridine
• CAS: 612482-58-3
• 化学式: C₁₆H₂₀N₄O
• 分子量: 284.361
• InChiKey: KVWIBYPCSPLIDM-WDNDVIMCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.45
• 重原子数：
  21.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  51.02
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-endo-(8-acetyl-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-3H-imidazo[4,5-c]pyridine 在 盐酸 作用下， 以 水 为溶剂， 反应 18.0h， 生成 3-[(3-endo)-8-azabicyclo[3.2.1]oct-3-yl]-2-methyl-3H-imidazo[4,5-c]pyridine dihydrochloride
  参考文献：
  名称：

  WO2006/114706

  摘要：

  公开号：

文献信息

• Tropane derivatives useful in therapy
  申请人：Pfizer Inc.

  公开号：US20040014742A1

  公开（公告）日：2004-01-22

  The present invention provides compounds of formula (I) 1 wherein X, Y, R 1 , R 2 and R 3 are as defined hereinabove. The compounds of the present invention are modulators, especially antagonists, of the activity of chemokine CCR5 receptors. Modulators of the CCR5 receptor may be useful in the treatment of various inflammatory diseases and conditions, and in the treatment of infection by HIV and genetically related retroviruses.

  本发明提供了式(I)中的化合物，其中X、Y、R1、R2和R3如上文所定义。本发明的化合物是化学趋化因子CCR5受体的调节剂，特别是拮抗剂。CCR5受体的调节剂可能在治疗各种炎症性疾病和症状以及治疗HIV和遗传相关逆转录病毒感染方面有用。
• [EN] TROPANE DERIVATIVES AS CCR5 MODULATORS<br/>[FR] DERIVES DE TROPANE UTILISES COMME MODULATEUR AS DE CCR5
  申请人：PFIZER LTD

  公开号：WO2003084954A1

  公开（公告）日：2003-10-16

  The present invention provides compounds of formula (I) wherein, X, Y, R1, R2 and R2 are as defined hereinabove. The compounds of the present invention are modulators, especially antagonists, of the activity of chemokine CCR5 receptors. Modulators of the CCR5 receptor may be useful in the treatment of various inflammatory diseases and conditions, and in the treatment of infection by HIV and genetically related retroviruses.

  本发明提供了式（I）的化合物，其中，X，Y，R1，R2和R2如上所定义。本发明的化合物是趋化因子CCR5受体活性的调节剂，特别是拮抗剂。CCR5受体的调节剂可用于治疗各种炎症性疾病和情况，以及治疗HIV和遗传相关的逆转录病毒感染。
• Compounds Useful In Therapy
  申请人：Bryans Justin Stephen

  公开号：US20080188478A1

  公开（公告）日：2008-08-07

  Compounds of formula (I), or pharmaceutically acceptable derivatives thereof, wherein: R 1 represents a group selected from H, CF 3 , and C 1-6 alkyl (optionally substituted by C 1-6 alkyloxy or triazolyl); R 2 represents halo; Ring A represents a 5- or 6-membered heterocyclic ring containing at least one N atom (the ring being optionally bridged with two or more carbon atoms); R 3 represents a 5- or 6-membered heterocyclic ring containing at least one atom selected from N, O or S, the heterocyclic ring being optionally substituted by one or more groups selected from C 1-6 alkyl oxo or NH 2 , the heterocyclic ring being further optionally fused to a 5- or 6-membered aryl or heterocyclic ring containing at least one atom selected from N, O or S, the fused aryl or heterocyclic ring being substituted by one or more halo atoms; are useful for treating a disorder for which a V1a antagonist is indicated, in particular, dysmenorrhea.

  式(I)的化合物或其药学上可接受的衍生物，其中： R1表示从H，CF3和C1-6烷基（可选地被C1-6烷氧基或三唑基取代）中选择的基团； R2表示卤素； 环A表示含有至少一个N原子的5-或6成员杂环，（该环可与两个或更多个碳原子桥接）； R3表示含有至少一个从N，O或S中选择的原子的5-或6成员杂环，该杂环可被选自C1-6烷基氧或NH2的一个或多个基团取代，该杂环进一步可融合到一个含有至少一个从N，O或S中选择的原子的5-或6成员芳香族或杂环中，该融合的芳香族或杂环被一个或多个卤素原子取代； 用于治疗需要V1a拮抗剂的疾病，特别是痛经。
• TROPANE DERIVATIVES AS CCR5 MODULATORS
  申请人：Pfizer Limited

  公开号：EP1492789B1

  公开（公告）日：2006-06-07
• TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS
  申请人：Pfizer Limited

  公开号：EP1877399A1

  公开（公告）日：2008-01-16