3-Oxo-3-[3-(1,5,6,11-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl)piperidin-1-yl]propanenitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 3-Oxo-3-[3-(1,5,6,11-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl)piperidin-1-yl]propanenitrile
• 英文别名: 3-oxo-3-[3-(1,5,6,11-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl)piperidin-1-yl]propanenitrile
• 化学式: C₁₆H₁₆N₆O
• 分子量: 308.34
• InChiKey: KEGFSAQSVWZSHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  79.7
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF
  申请人：ADVINUS THERAPEUTICS LIMITED

  公开号：US20150239886A1

  公开（公告）日：2015-08-27

  The present invention relates to substituted fused tricyclic compounds of formula (I), their tautomers, polymorphs, stereoisomers, prodrugs, solvates, co-crystals, pharmaceutically acceptable salts, pharmaceutical compositions containing them and methods of treating conditions and diseases that are mediated by JAK activity. The compounds of the present invention are useful in the treatment, prevention or suppression of diseases and disorders mediated by JAK activity. Such conditions include, but not limited to, arthritis, Alzheimer's disease, autoimmune thyroid disorders, cancer, diabetes, leukemia, T-cell prolymphocytic leukemia, lymphoma, myleoproliferation disorders, lupus, multiple myeloma, multiple sclerosis, osteoarthritis, sepsis, psoriatic arthritis, prostate cancer, T-cell autoimmune disease, inflammatory diseases, chronic and acute allograft transplant rejection, bone marrow transplant, stroke, asthma, chronic obstructive pulmonary disease, allergy, bronchitis, viral diseases, or Type I diabetes, complications from diabetes, rheumatoid arthritis, asthma, Crohn's disease, dry eye, uveitis, inflammatory bowel disease, organ transplant rejection, psoriasis and ulcerative colitis. The present disclosure also relates to process for the preparation of such compounds, and to pharmaceutical compositions containing them.

  本发明涉及公式（I）的取代融合三环化合物，它们的互变异构体、多晶型、立体异构体、前药、溶剂化物、共晶体、药学上可接受的盐、包含它们的制药组合物以及治疗由JAK活性介导的情况和疾病的方法。本发明的化合物在治疗、预防或抑制由JAK活性介导的疾病和疾患方面有用。这些情况包括但不限于关节炎、阿尔茨海默病、自身免疫性甲状腺疾病、癌症、糖尿病、白血病、T细胞前淋巴细胞白血病、淋巴瘤、骨髓增生性疾病、狼疮、多发性骨髓瘤、多发性硬化症、骨关节炎、败血症、银屑病性关节炎、前列腺癌、T细胞自身免疫性疾病、炎症性疾病、慢性和急性移植排斥、骨髓移植、中风、哮喘、慢性阻塞性肺疾病、过敏、支气管炎、病毒性疾病或I型糖尿病、糖尿病的并发症、类风湿性关节炎、哮喘、克罗恩病、干眼症、葡萄膜炎、炎症性肠病、器官移植排斥、银屑病和溃疡性结肠炎。本公开还涉及制备这些化合物的方法，以及包含它们的制药组合物。
• SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF
  申请人：Advinus Therapeutics Limited

  公开号：EP2897962A1

  公开（公告）日：2015-07-29
• US9593115B2
  申请人：——

  公开号：US9593115B2

  公开（公告）日：2017-03-14
• [EN] SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF<br/>[FR] COMPOSÉS TRICYCLIQUES CONDENSÉS SUBSTITUÉS, COMPOSITIONS ET APPLICATIONS MÉDICALES CORRESPONDANTES
  申请人：ADVINUS THERAPEUTICS LTD

  公开号：WO2014045305A1

  公开（公告）日：2014-03-27

  The present invention relates to substituted fused tricyclic compounds of formula (I), their tautomers, polymorphs, stereoisomers, prodrugs, solvates, co-crystals, pharmaceutically acceptable salts, pharmaceutical compositions containing them and methods of treating conditions and diseases that are mediated by JAK activity.[Formula I should be inserted here]. The compounds of the present invention are useful in the treatment, prevention or suppression of diseases and disorders mediated by JAK activity. Such conditions include, but not limited to, arthritis, Alzheimer's disease, autoimmune thyroid disorders, cancer, diabetes, leukemia, T-cell prolymphocytic leukemia, lymphoma, myleoproliferation disorders, lupus, multiple myeloma, multiple sclerosis, osteoarthritis, sepsis, psoriatic arthritis, prostate cancer, T-cell autoimmune disease, inflammatory diseases, chronic and acute allograft transplant rejection, bone marrow transplant, stroke, asthma, chronic obstructive pulmonary disease, allergy, bronchitis, viral diseases, or Type I diabetes, complications from diabetes, rheumatoid arthritis, asthma, Crohn's disease, dry eye, uveitis, inflammatory bowel disease, organ transplant rejection, psoriasis and ulcerative colitis. The present disclosure also relates to process for the preparation of such compounds, and to pharmaceutical compositions containing them.