5-nitro-spiro[benzofuran-3(2H),4'-piperidine] | 257616-39-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 5-nitro-spiro[benzofuran-3(2H),4'-piperidine]
• 英文别名: 5-nitrospiro[2H-1-benzofuran-3,4'-piperidine]
• CAS: 257616-39-0
• 化学式: C₁₂H₁₄N₂O₃
• 分子量: 234.255
• InChiKey: KXWXYKTTZAUYLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  67.1
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Compounds and methods
  申请人：——

  公开号：US20040038982A1

  公开（公告）日：2004-02-26

  This invention relates to substituted heterocyclic compounds which are modulators, agonists or antagonists, of the CCR5 receptor. In addition, this invention relates to the treatment and prevention of disease states mediated by CCR5, including, but not limited to, asthma and atopic disorders (for example, atopic dermatitis and allergies), rheumatoid arthritis, sarcoidosis, or idiopathic pulmonary fibrosis and other fibrotic diseases, atherosclerosis, psoriasis, autoimmune diseases such as multiple sclerosis, treating and/or preventing rejection of transplanted organs, and inflammatory bowel disease, all in mammals, by the use of substituted heterocyclic compounds which are CCR5 receptor antagonists. Furthermore, since CD8+ T cells have been implicated in COPD, CCR5 may play a role in their recruitment and therefore antagonists to CCR5 could provide potential therapeutic in the treatment of COPD. Also, since CCR5 is a co-receptor for the entry of HIV into cells, selective receptor modulators may be useful in the treatment of HIV infection.

  本发明涉及代替杂环化合物，其为CCR5受体的调节剂、激动剂或拮抗剂。此外，本发明还涉及通过使用代替杂环化合物治疗和预防由CCR5介导的疾病状态，包括但不限于哮喘和变态反应性疾病（例如变应性皮炎和过敏）、类风湿性关节炎、结节病、特发性肺纤维化和其他纤维化疾病、动脉粥样硬化、牛皮癣、多发性硬化等自身免疫疾病、治疗和/或预防移植器官排斥反应以及炎症性肠病等哺乳动物疾病的使用CCR5受体拮抗剂。此外，由于CD8+ T细胞已被牵涉到COPD中，CCR5可能在它们的招募中发挥作用，因此CCR5的拮抗剂可能在治疗COPD中提供潜在的治疗效果。此外，由于CCR5是HIV进入细胞的共受体，选择性受体调节剂可能在治疗HIV感染中有用。
• EP1100495A4
  申请人：——

  公开号：EP1100495A4

  公开（公告）日：2002-09-25
• PROPENAMIDES AS CCR5 MODULATORS
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1100495A1

  公开（公告）日：2001-05-23
• COMPOUNDS AND METHODS
  申请人：SmithKline Beecham Corporation

  公开号：EP1102535A2

  公开（公告）日：2001-05-30
• EP1102535A4
  申请人：——

  公开号：EP1102535A4

  公开（公告）日：2004-09-29