(5-Methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)-acetic acid | 3040-05-9

• 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
• 英文名称: (5-Methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)-acetic acid
• 英文别名: 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetic acid
• CAS: 3040-05-9
• 化学式: C₁₂H₁₅NO₃
• 分子量: 221.256
• InChiKey: CKWNQSLRJWTHQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  indomethacin 在 sodium hydroxide 、 buffer solution 作用下， 以 水 、 乙腈 为溶剂， 生成 (5-Methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)-acetic acid 、 对氯苯甲酸
  参考文献：
  名称：

  Arcos, J.; Lopez-Palacios, J.; Leal, J. M., Bulletin de la Societe Chimique de France, 1991, # 3, p. 314 - 318

  摘要：

  DOI：

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。
• Use of indole-3-acetic acids in the treatment of asthma, copd and other diseases
  申请人：Baxter Andrew

  公开号：US20050101612A1

  公开（公告）日：2005-05-12

  The invention relates to N-substituted indole-3-acetic acid derivatives of the general formula in which R 1 is optionally substituted benzothiazolyl, pyrimidin-4-yl, imidazol-2-yl, oxazol-2-yl or thiazol-2-yl, R 2 is hydrogen, halogen, C 1-6 alkyl or C 1-6 alkoxy and R 3 is hydrogen or C 1-6 alkyl (see further details in the description), and their use in the treatment of respiratory diseases such as asthma, rhinitis and chronic obstructive pulmanory disease (COPD), and other diseases mediated by prostaglandin D2(PGD2).

  本发明涉及一般式N-取代吲哚-3-乙酸衍生物，其中R1是可选取代的苯并噻唑基、嘧啶-4-基、咪唑-2-基、噁唑-2-基或噻唑-2-基，R2是氢、卤素、C1-6烷基或C1-6烷氧基，R3是氢或C1-6烷基（在说明书中进一步细节见），以及它们在治疗呼吸道疾病如哮喘、鼻炎和慢性阻塞性肺疾病（COPD）以及其他由前列腺素D2（PGD2）介导的疾病中的应用。
• USE OF INDOLE-3-ACETIC ACIDS IN THE TREATMENT OF ASTHMA, COPD AND OTHER DISEASES
  申请人：AstraZeneca AB

  公开号：EP1474137A1

  公开（公告）日：2004-11-10
• [EN] USE OF INDOLE-3-ACETIC ACIDS IN THE TREATMENT OF ASTHMA, COPD AND OTHER DISEASES<br/>[FR] UTILISATION D'ACIDES INDOLE-3-ACETIQUES DANS LE TRAITEMENT DE L'ASTHME, DE BPCO ET D'AUTRES MALADIES
  申请人：ASTRAZENECA AB

  公开号：WO2003066047A1

  公开（公告）日：2003-08-14

  The invention relates to N-substituted indole-3-acetic acid derivatives of the general formula in which R1 is optionally substituted benzothiazolyl, pyrimidin-4-yl, imidazol-2-yl, oxazol-2-yl or thiazol-2-yl, R2 is hydrogen, halogen, C1-6alkyl or C1-6alkoxy and R3 is hydrogen or C1-6alkyl (see further details in the description), and their use in the treatment of respiratory diseases such as asthma, rhinitis and chronic obstructive pulmanory disease (COPD), and other diseases mediated by prostaglandin D2(PGD2).