{3-[4-(cyclohexylamino)-1-ethyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dihydro-1,2-oxazole-5,5-diyl}dimethanol | 1221718-39-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: {3-[4-(cyclohexylamino)-1-ethyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dihydro-1,2-oxazole-5,5-diyl}dimethanol
• 英文别名: [3-[4-(cyclohexylamino)-1-ethyl-6-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol
• CAS: 1221718-39-3
• 化学式: C₂₀H₂₆F₃N₅O₃
• 分子量: 441.453
• InChiKey: PNIICLWSFZMJKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• PHOSPHODIESTARASE INHIBITORS
  申请人：Rudra Sonali

  公开号：US20120004201A1

  公开（公告）日：2012-01-05

  The present invention relates to phosphodiesterase (PDE) type 4, phosphodiesterase (PDE) type 7 and dual PDE type 4/PDE type 7 inhibitors. Compounds disclosed herein can be useful in the treatment, prevention, inhibition or suppression of CNS diseases, for example, multiple sclerosis; various pathological conditions such as diseases affecting the immune system, including AIDS, rejection of transplant, auto-immune disorders such as T-cell related diseases, for example, rheumatoid arthritis; inflammatory diseases such as respiratory inflammation diseases including chronic obstructive pulmonary disease (COPD), asthma, bronchitis, allergic rhinitis, adult respiratory distress syndrome (ARDS) and other inflammatory diseases including but not limited to psoriasis, shock, atopic dermatitis, eosinophilic granuloma, allergic conjunctivitis, osteoarthritis; gastrointestinal inflammation diseases such as Crohn's disease, colitis, pancreatitis as well as different types of cancers including leukaemia; especially in humans. Processes for the preparation of disclosed compounds, pharmaceutical compositions containing the disclosed compounds and their use as PDE type 4, PDE type 7 and dual PDE type 4/PDE type 7 inhibitors are provided.

  本发明涉及磷酸二酯酶（PDE）类型4、磷酸二酯酶（PDE）类型7和双重PDE类型4/PDE类型7抑制剂。本文所披露的化合物可用于治疗、预防、抑制或抑制中枢神经系统疾病，例如多发性硬化症；各种影响免疫系统的病理条件，包括艾滋病、移植排斥、自身免疫性疾病如T细胞相关疾病，例如类风湿性关节炎；炎症性疾病如呼吸道炎症性疾病，包括慢性阻塞性肺疾病（COPD）、哮喘、支气管炎、过敏性鼻炎、成人呼吸窘迫综合症（ARDS）和其他炎症性疾病，包括但不限于牛皮癣、休克、特应性皮炎、嗜酸性肉芽肿、过敏性结膜炎、骨关节炎；胃肠道炎症性疾病，如克罗恩病、结肠炎、胰腺炎以及不同类型的癌症，包括白血病；特别是在人类中。提供了制备所披露的化合物的过程、含有所披露的化合物的制药组合物以及它们作为PDE类型4、PDE类型7和双重PDE类型4/PDE类型7抑制剂的用途。