2-(7-(5-(2-chloro-6-methylpyridin-4-yl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic acid | 1174512-72-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-(7-(5-(2-chloro-6-methylpyridin-4-yl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic acid
• 英文别名: 2-[6-[5-(2-chloro-6-methylpyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
• CAS: 1174512-72-1
• 化学式: C₂₁H₁₇ClN₄O₃
• 分子量: 408.844
• InChiKey: IPWVBWGYTGSNLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  94
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] DIHYDRO- 1H- PYRROLO [1,2-A] INDOL-1-YL CARBOXYLIC DERIVATIVES WHICH ACT AS S1P1 AGONISTS<br/>[FR] DÉRIVÉS CARBOXYLIQUES DIHYDRO-1H-PYRROLO[1,2-A]INDOL-1-YLE AGISSANT COMME DES AGONISTES DE S1P1
  申请人：ARENA PHARM INC

  公开号：WO2009094157A1

  公开（公告）日：2009-07-30

  The present invention relates to certain (1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl carboxylic acid derivatives of Formula (Ia) and pharmaceutically acceptable salts thereof, which exhibit useful pharmacological properties, for example, as agonists of the S1P1 receptor. Also provided by the present invention are pharmaceutical compositions containing compounds of the invention, and methods of using the compounds and compositions of the invention in the treatment of S1P1 associated disorders, for example, psoriasis, rheumatoid arthritis, Crohn's disease, transplant rejection, multiple sclerosis, systemic lupus erythematosus, ulcerative colitis, type I diabetes, sepsis, myocardial infarction, ischemic stroke, acne, microbial infections or diseases and viral infections or diseases.

  本发明涉及一些(1,2,4-噁二唑-3-基)-2,3-二氢-1H-吡咯[1,2-a]吲哚-1-基羧酸衍生物的化学式(Ia)及其药用可接受的盐，这些衍生物展示出有用的药理特性，例如作为S1P1受体的激动剂。本发明还提供了含有本发明化合物的药物组合物，以及使用本发明化合物和组合物治疗S1P1相关疾病的方法，例如牛皮癣、类风湿关节炎、克罗恩病、移植排斥反应、多发性硬化、系统性红斑狼疮、溃疡性结肠炎、I型糖尿病、败血症、心肌梗死、缺血性中风、痤疮、微生物感染或疾病以及病毒感染或疾病。
• [EN] DISUBSTITUTED OXADIAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS<br/>[FR] DÉRIVÉS D'OXADIAZOLE DISUBSTITUÉS UTILES DANS LE TRAITEMENT DE TROUBLES AUTO-IMMUNS ET INFLAMMATOIRES
  申请人：ARENA PHARM INC

  公开号：WO2011005290A1

  公开（公告）日：2011-01-13

  The present invention relates to certain disubstituted oxadiazole derivatives of Formula (Ia) and pharmaceutically acceptable salts, solvates, and hydrates thereof, which exhibit useful pharmacological properties, for example, as agonists of the S1P1 receptor. Also provided by the present invention are pharmaceutical compositions containing compounds of the invention, and methods of using the compounds and compositions of the invention in the treatment of S1P1-associated disorders, for example, psoriasis, rheumatoid arthritis, Crohn's disease, transplant rejection, multiple sclerosis, systemic lupus erythematosus, ulcerative colitis, type I diabetes, acne, myocardial ischemia-reperfusion injury, hypertensive nephropathy, glomerulosclerosis, gastritis, polymyositis, thyroiditis, vitiligo, hepatitis, biliary cirrhosis, microbial infections and associated diseases, viral infections and associated diseases, diseases and disorders mediated by lymphocytes, auto immune diseases, inflammatory diseases, and cancer.

  本发明涉及Formula (Ia)的某些二取代噁二唑衍生物及其药用可接受的盐、溶剂化合物和水合物，这些化合物展示出有用的药理特性，例如作为S1P1受体激动剂。本发明还提供了含有本发明化合物的药物组合物，以及使用本发明化合物和组合物治疗S1P1相关疾病的方法，例如牛皮癣、类风湿关节炎、克罗恩病、移植排斥、多发性硬化症、全身性红斑狼疮、溃疡性结肠炎、I型糖尿病、痤疮、心肌缺血再灌注损伤、高血压性肾病、肾小球硬化、胃炎、多发性肌炎、甲状腺炎、白癜风、肝炎、胆管肝硬化、微生物感染及相关疾病、病毒感染及相关疾病、淋巴细胞介导的疾病和疾病、自身免疫疾病、炎症性疾病和癌症。
• DIHYDRO-1H-PYRROLO[1,2-A]INDOL-1-YL CARBOXYLIC ACID DERIVATIVES WHICH ACT AS S1P1 AGONISTS
  申请人：Jones Robert M.

  公开号：US20100292233A1

  公开（公告）日：2010-11-18

  The present invention relates to certain (1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl carboxylic acid derivatives of Formula (Ia) and pharmaceutically acceptable salts thereof, which exhibit useful pharmacological properties, for example, as agonists of the S1P1 receptor. Also provided by the present invention are pharmaceutical compositions containing compounds of the invention, and methods of using the compounds and compositions of the invention in the treatment of S1P1 associated disorders, for example, psoriasis, rheumatoid arthritis, Crohn's disease, transplant rejection, multiple sclerosis, systemic lupus erythematosus, ulcerative colitis, type I diabetes, sepsis, myocardial infarction, ischemic stroke, acne, microbial infections or diseases and viral infections or diseases.

  本发明涉及公式（Ia）中的某些（1,2,4-噁二唑-3-基）-2,3-二氢-1H-吡咯并[1,2-a]吲哚-1-基羧酸衍生物及其药学上可接受的盐，其具有有用的药理特性，例如作为S1P1受体激动剂。本发明还提供了包含该发明化合物的制药组合物，并提供了使用该化合物和组合物治疗S1P1相关疾病的方法，例如牛皮癣、类风湿性关节炎、克罗恩病、移植排斥、多发性硬化症、全身性红斑狼疮、溃疡性结肠炎、1型糖尿病、败血症、心肌梗塞、缺血性中风、痤疮、微生物感染或疾病和病毒感染或疾病。
• DIHYDRO- 1H- PYRROLO [1,2-A]INDOL-1-YL CARBOXYLIC DERIVATIVES WHICH ACT AS S1P1 AGONISTS
  申请人：Arena Pharmaceuticals, Inc.

  公开号：EP2252615A1

  公开（公告）日：2010-11-24