5-{[(2S,5R)-2,5-dimethyl-4-(tetrahydro-2H-pyran-4-ylmethyl)piperazin-1-yl]carbonyl}-N-[5-fluoro-2-(methoxymethyl)pyrimidin-4-yl]-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-amine | 1046789-95-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 5-{[(2S,5R)-2,5-dimethyl-4-(tetrahydro-2H-pyran-4-ylmethyl)piperazin-1-yl]carbonyl}-N-[5-fluoro-2-(methoxymethyl)pyrimidin-4-yl]-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-amine
• 英文别名: US11220518, Ex. No. N1；[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazin-1-yl]-[3-[[5-fluoro-2-(methoxymethyl)pyrimidin-4-yl]amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
• CAS: 1046789-95-0
• 化学式: C₂₆H₃₉FN₈O₃
• 分子量: 530.646
• InChiKey: INRPDENDBHJXKV-SJORKVTESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (2R,5S)-2,5-dimethyl-1-(tetrahydro-2H-pyran-4-ylmethyl)piperazine 、 3-{[5-fluoro-2-(methoxymethyl)pyrimidin-4-yl]amino}-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carbonyl chloride 在 N,N-二异丙基乙胺 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 32.0h， 以47%的产率得到5-{[(2S,5R)-2,5-dimethyl-4-(tetrahydro-2H-pyran-4-ylmethyl)piperazin-1-yl]carbonyl}-N-[5-fluoro-2-(methoxymethyl)pyrimidin-4-yl]-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-amine
  参考文献：
  名称：

  WO2008/96260

  摘要：

  公开号：

文献信息

• NOVEL 3-AMINO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H, 6H) CARBALDEHYDE DERIVATIVES
  申请人：Li Hui

  公开号：US20100130501A1

  公开（公告）日：2010-05-27

  The present invention relates to compounds and pharmaceutically acceptable salts of Formulas A and B: (A) and (B) wherein A, B, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 and R 10 are as defined above. The invention further relates to pharmaceutical compositions comprising the compounds and pharmaceutically acceptable salts and to methods of treating diabetes mellitus and its complications, cancer, ischemia, inflammation, central nervous system disorders, cardiovascular disease, Alzheimer's disease and dermatological disase pression, virus diseases, inflammatory disorders, or diseases in which the liver is a target organ.

  本发明涉及化合物及其药学上可接受的盐，其化学式为A和B：（A）和（B），其中A，B，R1，R2，R3，R4，R5，R6，R7，R8，R9和R10如上所定义。本发明还涉及包括这些化合物和药学上可接受的盐的制药组合物，以及治疗糖尿病及其并发症、癌症、缺血、炎症、中枢神经系统疾病、心血管疾病、阿尔茨海默病和皮肤疾病、抑郁症、病毒性疾病、炎症性疾病或以肝脏为靶器官的疾病的治疗方法。
• NOVEL N-PYRIMIDIN-4-YL-3-AMINO-PYRROLO[3,4-C]PYRAZOLE DERIVATIVES AS PKC KINASE INHIBITORS
  申请人：Li Hui

  公开号：US20120202809A1

  公开（公告）日：2012-08-09

  The present invention relates to compounds and pharmaceutically acceptable salts of Formulas A and B: wherein A, B, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 and R 10 are as defined above. The invention further relates to pharmaceutical compositions comprising the compounds and pharmaceutically acceptable salts and to methods of treating diabetes mellitus and its complications, cancer, ischemia, inflammation, central nervous system disorders, cardiovascular disease, Alzheimer's disease and dermatological disase pression, virus diseases, inflammatory disorders, or diseases in which the liver is a target organ.

  本发明涉及化合物和公认的药用盐，其分别符合以下式子A和B：其中A、B、R1、R2、R3、R4、R5、R6、R7、R8、R9和R10如上定义。本发明还涉及包含这些化合物和公认的药用盐的制药组合物，以及治疗糖尿病及其并发症、癌症、缺血、炎症、中枢神经系统疾病、心血管疾病、阿尔茨海默病和皮肤疾病、压力、病毒性疾病、炎症性疾病或肝脏为靶器官的疾病的治疗方法。
• Substituted pyrrolo[3,4-c]pyrazoles as pkc kinase inhibitors
  申请人：PFIZER, INC.

  公开号：US10316045B2

  公开（公告）日：2019-06-11

  The present invention relates to compounds and pharmaceutically acceptable salts of Formulas A and B: wherein A, B, R1, R2, R3, R4, R5, R6, R7, R8, R9 and R10 are as defined above. The invention further relates to pharmaceutical compositions comprising the compounds and pharmaceutically acceptable salts and to methods of treating diabetes mellitus and its complications, cancer, ischemia, inflammation, central nervous system disorders, cardiovascular disease, Alzheimer's disease and dermatological disase pression, virus diseases, inflammatory disorders, or diseases in which the liver is a target organ.

  本发明涉及式 A 和 B 的化合物和药学上可接受的盐： 其中A、B、R1、R2、R3、R4、R5、R6、R7、R8、R9和R10如上所定义。本发明进一步涉及包含本发明化合物和药学上可接受的盐的药物组合物，以及治疗糖尿病及其并发症、癌症、缺血、炎症、中枢神经系统疾病、心血管疾病、老年痴呆症和皮肤病、病毒性疾病、炎症性疾病或以肝脏为靶器官的疾病的方法。
• Compositions and methods for promoting the generation of endocrine cells
  申请人：President and Fellows of Harvard College

  公开号：US10941384B2

  公开（公告）日：2021-03-09

  Disclosed herein are compositions and methods for the generation of insulin positive β cells, for example by exposing Pdx+ pancreatic progenitor cells to one or more compounds, and compositions and kits comprising isolated populations of insulin positive cells.

  本文公开了生成胰岛素阳性β细胞的组合物和方法，例如通过将Pdx+胰腺祖细胞暴露于一种或多种化合物，以及包含分离的胰岛素阳性细胞群的组合物和试剂盒。
• Treatment of cancer
  申请人：MingSight Pharmaceuticals, Inc.

  公开号：US11154555B2

  公开（公告）日：2021-10-26

  Provided herein are compositions and methods for the treatment of a hematological malignancy. Also disclosed herein are compositions and methods for the treatment of Ewings Sarcoma. Said compositions comprise isoform selective pyrrolo-pyrazole PKC inhibitors.

  本文提供了治疗血液恶性肿瘤的组合物和方法。 本文还公开了治疗尤文肉瘤的组合物和方法。 所述组合物包括同工酶选择性吡咯-吡唑PKC抑制剂。