9-{(2R)-2-((1R)-3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetyl}-cis-4,9-diazabicyclo[5.3.0]-decane | 325288-14-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - Pyrroloazepines
• 英文名称: 9-{(2R)-2-((1R)-3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetyl}-cis-4,9-diazabicyclo[5.3.0]-decane
• 英文别名: (2R)-1-[(3aS,8aR)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-2-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone；(2R)-1-[(3aR,8aS)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-2-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone
• CAS: 325288-14-0
• 化学式: C₂₁H₂₈F₂N₂O₂
• 分子量: 378.462
• InChiKey: KJMSDFSJBYEXJF-AWQBJMPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  52.6
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• N-ACYL CYCLIC AMINE DERIVATIVES
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1061076A1

  公开（公告）日：2000-12-20

  The invention relates to compounds represented by the general formula [I] [wherein Ar means an aryl group or a heteroaryl group which may have a substitutive group selected from a group consisting of a halogen atom, a lower alkyl group and a lower alkoxy group; R1 means a C3-C6 cycloalkyl group which is substitutable with a fluorine atom; R2 and R4 mean hydrogen atoms, groups represented by -(A1)m-NH-B or the like; R3 and R5 mean hydrogen atoms, C1-C6 aliphatic hydrocarbon groups or the like which are substitutable with a lower alkyl group(s) ; n means 0 or 1; and X means an oxygen atom or a sulfur atom]. Compounds according to the invention, since they not only have potent selective antagonistic activity against muscarinic M3 receptors but also exhibit excellent oral activity, durability of action and pharmacokinetics, are very useful as safe and effective remedies against respiratory, urinary and digestive diseases with little adverse side effects.

  本发明涉及通式[I]所代表的化合物。 [其中 Ar 指芳基或杂芳基，可带有选自卤原子、低级烷基和低级烷氧基的取代基团；R1 指可被氟原子取代的 C3-C6 环烷基；R2和R4指氢原子、由-(A1)m-NH-B代表的基团或类似基团；R3和R5指氢原子、可被低级烷基取代的C1-C6脂族烃基或类似基团；n指0或1；X指氧原子或硫原子]。 根据本发明的化合物不仅对毒蕈碱类 M3 受体具有强效的选择性拮抗活性，而且具有良好的口服活性、作用持久性和药代动力学，因此非常适合作为安全有效的治疗呼吸系统、泌尿系统和消化系统疾病的药物，且不良副作用小。
• US6140333A
  申请人：——

  公开号：US6140333A

  公开（公告）日：2000-10-31