N-(6,6-dimethyl-5-((3S,8aS)-3-methyl-octahydropyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)picolinamide | 1072099-30-9

• 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: N-(6,6-dimethyl-5-((3S,8aS)-3-methyl-octahydropyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)picolinamide
• 英文别名: N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]pyridine-2-carboxamide
• CAS: 1072099-30-9
• 化学式: C₂₂H₂₉N₇O₂
• 分子量: 423.518
• InChiKey: UNUTWQCSTBUZDD-GJZGRUSLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  97.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氨基-4,6-二氢-6,6-二甲基-吡咯并[3,4-c]吡唑-1,5-二甲酸 5-叔丁基 1-乙基酯 在 盐酸 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 38.0h， 生成 N-(6,6-dimethyl-5-((3S,8aS)-3-methyl-octahydropyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)picolinamide
  参考文献：
  名称：

  WO2008/125945

  摘要：

  公开号：

文献信息

• NOVEL 3-AMIDO-PYRROLO[3,4-C]PYRAZOLE-5(1H,4H,6H) CARBALDEHYDE DERIVATIVES
  申请人：Botrous Iriny

  公开号：US20100249128A1

  公开（公告）日：2010-09-30

  The present invention relates to compounds and pharmaceutically acceptable salts of Formula (I): wherein X, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , and R 8 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 (including in particular diabetic retinopathy, nephropathy or neuropathy), cancer, ischemia, inflammation, central nervous system disorders, cardiovascular disease, Alzheimer's disease and dermatological disease pression, viral diseases, inflammatory disorders, or diseases in which the liver is a target organ.

  本发明涉及式（I）的化合物和药学上可接受的盐，其中X，R1，R2，R3，R4，R5，R6，R7和R8如上所定义。本发明还涉及包含该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（尤其是糖尿病视网膜病变、肾病或神经病变）、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病、病毒性疾病、炎症性疾病或肝脏是靶器官的疾病的治疗方法。
• NOVEL 3-AMIDO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H,6H) CARBALDEHYDE DERIVATIVES
  申请人：Botrous Iriny

  公开号：US20120108588A1

  公开（公告）日：2012-05-03

  The present invention relates to compounds and pharmaceutically acceptable salts of Formula (I): wherein X, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , and R 8 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 (including in particular diabetic retinopathy, nephropathy or neuropathy), cancer, ischemia, inflammation, central nervous system disorders, cardiovascular disease, Alzheimer's disease and dermatological disease pression, viral diseases, inflammatory disorders, or diseases in which the liver is a target organ.

  本发明涉及公式（I）的化合物和药学上可接受的盐，其中X，R1，R2，R3，R4，R5，R6，R7和R8如上所定义。本发明还涉及包含该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（尤其是糖尿病视网膜病变，肾病或神经病变），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病，病毒性疾病，炎症性疾病或肝脏是靶器官的疾病的治疗方法。
• Identification of novel pyrrolopyrazoles as protein kinase C β II inhibitors
  作者：Hui Li、Yufeng Hong、Seiji Nukui、Jihong Lou、Sarah Johnson、Stephanie Scales、Iriny Botrous、Eileen Tompkins、Chunfeng Yin、Ru Zhou、Mingying He、Jordan Jensen、Djamal Bouzida、Gordon Alton、Jennifer Lafontaine、Stephan Grant

  DOI：10.1016/j.bmcl.2010.10.032

  日期：2011.1

  A novel series of pyrrolopyrazole-based protein kinase C beta II inhibitors has been identified from high-throughput screening. Herein, we report our initial structure-activity relationship studies with a focus on optimizing compound ligand efficiency and physicochemical properties, which has led to potent inhibitors with good cell permeability. (C) 2010 Elsevier Ltd. All rights reserved.
• 3-AMIDO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H,6H) CARBALDEHYDE DERIVATIVES AS INHIBITORS OF PROTEIN KINASE C
  申请人：Pfizer, Inc.

  公开号：EP2195321A2

  公开（公告）日：2010-06-16
• US8114871B2
  申请人：——

  公开号：US8114871B2

  公开（公告）日：2012-02-14