2-Benzyl-3-[1-(p-bromobenzyl)-5-methoxy-2-methylindol-3-yl]-propanoic acid | 185516-38-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-Benzyl-3-[1-(p-bromobenzyl)-5-methoxy-2-methylindol-3-yl]-propanoic acid
• 英文别名: 2-Benzyl-3-[1-(p-bromobenzyl)-5-methoxy-2-methylindol-3-yl]propanoic acid；2-benzyl-3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]propanoic acid
• CAS: 185516-38-5
• 化学式: C₂₇H₂₆BrNO₃
• 分子量: 492.412
• InChiKey: ZNPCHINOTBCQBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  51.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  Methyl 2-benzyl-3-[1-(p-bromobenzyl)-5-methoxy-2-methylindol-3-yl]propanoate 在 LiOH 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 2-Benzyl-3-[1-(p-bromobenzyl)-5-methoxy-2-methylindol-3-yl]-propanoic acid
  参考文献：
  名称：

  N-benzylindol-3-yl propanoic acid derivatives as cyclooxygenase

  摘要：

  这项发明涵盖了式I的新化合物，以及一种治疗环氧合酶-2介导疾病的方法，包括向需要此类治疗的患者施用式I化合物的非毒性治疗有效量。 该发明还涵盖了用于治疗环氧合酶-2介导疾病的某些含有式I化合物的药物组合物。

  公开号：

  US05604253A1

文献信息

• Pharmaceutical formulation containing muscle relaxant and COX-II inhibitor
  申请人：Sen Nilendu

  公开号：US20050100594A1

  公开（公告）日：2005-05-12

  Disclosed is an extended release pharmaceutical formulation comprising a muscle relaxant drug, such as tizanidine, in combination with a cyclooxygenase-2 inhibitor, such as valdecoxib. The formulations are useful in the treatment and management of painful inflammatory conditions associated with, for example, skeletal muscle spasms.

  本发明公开了一种缓释药物制剂，该制剂由肌肉松弛剂药物（如替扎尼丁）与环氧化酶-2 抑制剂（如伐地昔布）组合而成。该制剂可用于治疗和控制与骨骼肌痉挛等相关的疼痛性炎症。
• Topical pharmaceutical compositions
  申请人：Krishnan Anandi

  公开号：US20050096371A1

  公开（公告）日：2005-05-05

  A hydroalcoholic topical pharmaceutical composition is provided comprising a therapeutically effective amount of a therapeutic agent comprising one or more selective cyclooxygenase-2 (COX-2) inhibitors or pharmaceutically acceptable salts or esters thereof solubilized in a solubilizing amount of a penetration vehicle system comprising a skin penetration enhancing effective amount of at least one monohydric alcohol and at least two non-volatile organic compounds selected from the group consisting of pyrrolidones, polyol ethers, polyols and mixtures thereof. Also provided is a process for its preparation.

  本发明提供了一种水醇局部药物组合物，该组合物包含治疗有效量的治疗剂，该治疗剂包含一种或多种选择性环氧化酶-2 (COX-2) 抑制剂或其药学上可接受的盐或酯，该治疗剂溶解在渗透载体系统的溶解量中，该渗透载体系统包含皮肤渗透增强有效量的至少一种一元醇和至少两种非挥发性有机化合物，这些非挥发性有机化合物选自由吡咯烷酮、多元醇醚、多元醇及其混合物组成的组。此外，还提供了一种制备方法。
• US5604253A
  申请人：——

  公开号：US5604253A

  公开（公告）日：1997-02-18
• [EN] N-BENZYLINDOL-3-YL PROPANIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS<br/>[FR] DERIVES DE L'ACIDE N-BENZYLINDOLE-3-YL PROPANIQUE INHIBITEURS DE LA CYCLOOXYGENASE-2
  申请人：MERCK FROSST CANADA INC.

  公开号：WO1996037469A1

  公开（公告）日：1996-11-28

  (EN) The invention encompasses the novel compound of Formula (I) as well as a method of treating cyclooxygenase-2 mediated diseases comprising administration to a patient in need of such treatment of a non-toxic therapeutically effective amount of a compound of Formula (I). The invention also encompasses certain pharmaceutcial compositions for treatment of cyclooxygenase-2 mediated diseases comprising compounds of Formula (I).(FR) L'invention concerne le nouveau composé selon la formule (I), ainsi qu'un procédé de traitement des maladies provoquées par la cyclooxygénase-2, consistant à administrer à un patient nécessitant un traitement non toxique de ce type une dose thérapeutiquement efficace d'un composé selon la formule (I). L'invention traite également de certaines compositions pharmaceutiques pour le traitement des maladies provoquées par la cyclooxygénase-2, comprenant les composés de la formule (I).
• [EN] TOPICAL PHARMACEUTICAL COMPOSITIONS<br/>[FR] COMPOSITIONS PHARMACEUTIQUES TOPIQUES
  申请人：GLENMARK PHARMACEUTICALS LTD

  公开号：WO2005044227A1

  公开（公告）日：2005-05-19

  A hydroalcoholic topical pharmaceutical composition is provided comprising a therapeutically effective amount of a therapeutic agent comprising one or more selective cyclooxygenase-2 (COX-2) inhibitors or pharmaceutically acceptable salts or esters thereof solubilzed in a solubilizing amount of a penetration vehicle system comprising a skin penetration enhancing effective amount of at least one monohydric alcohol and at least two non-volatile organic compounds selected from the group consisting of pyrrolidones, polyol ethers, polyols and mixtures thereof. Also provided is a process for its preparation.