1,1,1,3,3,3-hexafluoropropan-2-yl 5-[[3-(1-methanesulfonylpiperidin-4-yl)-1-methyl-1H-pyrazol-4-yl] methyl]octahydropyrrolo[3,4-c] pyrrole-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1,1,1,3,3,3-hexafluoropropan-2-yl 5-[[3-(1-methanesulfonylpiperidin-4-yl)-1-methyl-1H-pyrazol-4-yl] methyl]octahydropyrrolo[3,4-c] pyrrole-2-carboxylate
• 英文别名: 1,1,1,3,3,3-Hexafluoropropan-2-yl 2-[[1-methyl-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate；1,1,1,3,3,3-hexafluoropropan-2-yl 2-[[1-methyl-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
• 化学式: C₂₁H₂₉F₆N₅O₄S
• 分子量: 561.549
• InChiKey: ZYSXWYSHUIAXLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  96.4
• 氢给体数：
  0
• 氢受体数：
  13

文献信息

• [EN] PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF<br/>[FR] COMPOSÉS DE PYRROLO-PYRROLE CARBAMATE ET COMPOSÉS ORGANIQUES ASSOCIÉS, COMPOSITIONS PHARMACEUTIQUES ET LEURS UTILISATIONS MÉDICALES
  申请人：ABIDE THERAPEUTICS INC

  公开号：WO2015003002A1

  公开（公告）日：2015-01-08

  The invention provides pyrrolo-pyrrole carbamate and related organic compounds, compositions containing such compounds, medical kits, and methods for using such compounds and compositions to treat medical disorders, e.g., solid tumor cancer, obesity, Down's syndrome, Alzheimer's disease, or pain, in a patient. The octahydropyrrolo pyrrole carbamates could be derived from hexafluoroisopropanol, Ν,Ν-disuccinimide and such. The activity of carbamates in MAGL, FAAH, and ABHD6 assays are also described.

  这项发明提供了吡咯-吡咯氨基甲酸酯及相关有机化合物，含有这些化合物的组合物，医疗工具包，以及使用这些化合物和组合物治疗患者的方法，例如固体肿瘤癌症、肥胖症、唐氏综合征、阿尔茨海默病或疼痛。八氢吡咯-吡咯氨基甲酸酯可以由六氟异丙醇、Ν,Ν-二琥珀酰亚胺等物质衍生而来。此外还描述了氨基甲酸酯在MAGL、FAAH和ABHD6测定中的活性。
• PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF
  申请人：ABIDE THERAPEUTICS, INC.

  公开号：US20160137649A1

  公开（公告）日：2016-05-19

  The invention provides pyrrolo-pyrrole carbamate and related organic compounds, compositions containing such compounds, medical kits, and methods for using such compounds and compositions to treat medical disorders, e.g., solid tumor cancer, obesity, Down's syndrome, Alzheimer's disease, or pain, in a patient. The octahydropyrrolo pyrrole carbamates could be derived from hexafluoroisopropanol, N,N-disuccinimide and such. The activity of carbamates in MAGL, FAAH, and ABHD6 assays are also described.

  该发明提供了吡咯-吡咯氨基甲酸酯及其相关有机化合物，含有这些化合物的组合物，医疗用品以及使用这些化合物和组合物治疗患者的医疗疾病的方法，例如实体瘤癌，肥胖症，唐氏综合症，阿尔茨海默病或疼痛。八氢吡咯-吡咯氨基甲酸酯可以由六氟异丙醇，N,N-二琥珀酰亚胺等制得。此外还描述了氨基甲酸酯在MAGL，FAAH和ABHD6测定中的活性。
• US9828379B2
  申请人：——

  公开号：US9828379B2

  公开（公告）日：2017-11-28