2-(1-苯甲酰基-5-羟基-2-甲基吲哚-3-基)乙酸 | 823177-71-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 2-(1-苯甲酰基-5-羟基-2-甲基吲哚-3-基)乙酸
• 英文名称: (1-benzoyl-5-hydroxy-2-methyl-1H-indol-3-yl)acetic acid
• 英文别名: 2-(1-benzoyl-5-hydroxy-2-methylindol-3-yl)acetic acid
• CAS: 823177-71-5
• 化学式: C₁₈H₁₅NO₄
• 分子量: 309.321
• InChiKey: XXSAPFPYTRXTGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  79.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(1-苯甲酰基-5-羟基-2-甲基吲哚-3-基)乙酸 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 生成 [6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
  参考文献：
  名称：

  Synthesis of COX-2 and FAAH inhibitors

  摘要：

  描述了制备对COX-2抑制剂有用的吲哚和在这些方法中有用的中间体的方法。

  公开号：

  US20050234244A1
• 作为产物：
  描述：

  2-(1-苯甲酰基-5-甲氧基-2-甲基吲哚-3-基)乙酸 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 2-(1-苯甲酰基-5-羟基-2-甲基吲哚-3-基)乙酸
  参考文献：
  名称：

  Synthesis of COX-2 and FAAH inhibitors

  摘要：

  描述了制备对COX-2抑制剂有用的吲哚和在这些方法中有用的中间体的方法。

  公开号：

  US20050234244A1

文献信息

• SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES
  申请人：Ivashchenko Andrey Alexandrovich

  公开号：US20110230524A1

  公开（公告）日：2011-09-22

  The present invention relates to novel substituted 2-(5-hydroxy-2-methyl-1H-indol-3-yl)acetic acids, to novel antiviral active ingredients, pharmaceutical compositions, antiviral medicaments, methods for prophylaxis and treatment of viral diseases particularly caused by influenza viruses and infectious hepatisis C (HCV) viruses. Novel substituted 2-(5-hydroxy-2-methyl-1H-indol-3-yl)acetic acids, their esters of the general formula 1 and pharmaceutically acceptable salts and/or hydrates thereof have been disclosed wherein: R 1 represents amino group substituent selected from hydrogen, optionally substituted C 1 -C 5 alkyl, acyl or sulfonyl; R 2 and R 4 independently of each other represent alkyl substituent selected from hydrogen, halogen, optionally substituted C 1 -C 3 alkyl, optionally substituted hydroxyl, optionally substituted amino group, optionally substituted aminomethyl, substituted mercapto group; R 3 represents hydrogen, optionally substituted lower C 1 -C 5 alkyl; R 5 represents cyclic system substituent selected from hydrogen, fluorine, trifluoromethyl, carboxy group, alkyloxycarbonyl, possibly substituted aryl, heterocyclyl, optionally substituted aminomethyl, cyano group; R 6 represents hydroxyl group substituent selected from hydrogen, optionally substituted C 1 -C 5 alkyl, acyl.

  本发明涉及新的取代2-(5-羟基-2-甲基-1H-吲哚-3-基)乙酸，新的抗病毒活性成分，制药组合物，抗病毒药物，以及用于预防和治疗由流感病毒和丙型肝炎病毒（HCV）引起的病毒性疾病的方法。已经披露了新的取代2-(5-羟基-2-甲基-1H-吲哚-3-基)乙酸，其酯具有一般式1和其药用可接受的盐和/或水合物其中：R1代表氨基取代基，可选地取代的C1-C5烷基，酰基或磺酰基；R2和R4独立地代表氢，卤素，可选地取代的C1-C3烷基，可选地取代的羟基，可选地取代的氨基基团，可选地取代的氨甲基，取代的巯基团；R3代表氢，可选地取代的较低C1-C5烷基；R5代表环系统取代基，选择自氢，氟，三氟甲基，羧基，烷氧羰基，可能取代的芳基，杂环烷基，可选地取代的氨甲基，氰基；R6代表羟基取代基，选择自氢，可选地取代的C1-C5烷基，酰基。
• Selective Cox-2 Inhibitors
  申请人：Cali M. Brian

  公开号：US20070293542A1

  公开（公告）日：2007-12-20

  The invention features compounds that are inhibitors of COX-2 activity. Certain of the compounds are inhibitors of FAAH activity as well as COX-2 activity. The compounds include a 5-membered or 6-membered substituted or unsubstituted heteroaryl or heterocyclyl ring having one or two heteroatoms selected from the group consisting of O, S, and N that is linked to two substituted or unsubstituted 6-membered aryl or heteroaryl groups that can be the same or different.

  这项发明涉及一种抑制COX-2活性的化合物。其中一些化合物不仅是COX-2活性的抑制剂，还是FAAH活性的抑制剂。这些化合物包括一个带有一个或两个O、S或N杂原子的5元或6元取代或未取代的杂芳基或杂环基环，该环连接两个取代或未取代的6元芳基或杂芳基基团，这两个基团可以相同也可以不同。
• METHODS FOR THE PROTECTION OF MEMORY AND COGNITION
  申请人：Microbia, INC.

  公开号：EP1628532A2

  公开（公告）日：2006-03-01
• Methods for the protection of memory and cognition
  申请人：Cali M. Brian

  公开号：US20050004104A1

  公开（公告）日：2005-01-06

  The invention features certain compounds useful in the treatment of memory disorders, i.e., they reduce or delay memory loss or they enhance memory retention. Because certain of the compounds do not substantially inhibit either COX-1 or COX-2 at therapeutically relevant doses, these compounds are far less likely to cause gastrointestinal ulceration than is indomethacin, which is known to inhibit both COX-1 and COX-2. Certain of the compounds inhibit the activity of DAO at therapeutically relevant doses. Among the memory disorders that can be treated are AD, mild cognitive impairment (MCI; a common precursor to AD), and memory loss or cognitive impairment associated with vascular dementias, amnesia, dementia, AIDS dementia, Huntington's Disease, hydrocephalus, depression, Pick's Disease, Creutzfeldt-Jakob Syndrome, electroconvulsive therapy, or Parkinson's Disease.
• US8481587B2
  申请人：——

  公开号：US8481587B2

  公开（公告）日：2013-07-09