indomethacin | 3305-29-1

• 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: indomethacin
• 英文别名: 2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid
• CAS: 3305-29-1
• 化学式: C₁₉H₁₈ClNO₄
• 分子量: 359.809
• InChiKey: LCUUTQDVRHCQTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  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

• CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING
  申请人：Reiley Pharmaceuticals, Inc.

  公开号：US20150374858A1

  公开（公告）日：2015-12-31

  Conjugates derived from non-steroidal anti-inflammatory drugs (NSAIDs) and methods of use thereof are disclosed, useful for, inter alia, identifying and localizing the site of pathology and/or inflammation responsible for the sensation of pain in a patient; for identifying the sites of primary, secondary, benign, or malignant tumors; and for diagnosing infection or confirming or ruling out suspected infection. The NSAID-based conjugates contain an imaging moiety. The conjugates concentrate at sites of increased cyclooxygenase expression, thus revealing the sites of increased prostaglandin production, which is correlated with pain and inflammation, and correlated with tumor presence and/or location. Identifying areas of increased COX expressing can also aid in screening for infections.

  披露了来自非甾体抗炎药（NSAIDs）的衍生物及其使用方法，这对于识别和定位患者疼痛感觉的病理和/或炎症部位；识别原发、继发、良性或恶性肿瘤的部位；以及诊断感染或确认或排除疑似感染非常有用。基于NSAID的偶联物含有成像基团。这些偶联物在环氧化酶表达增加的部位富集，从而揭示了前列腺素产生增加的部位，这与疼痛和炎症有关，并与肿瘤存在和/或位置有关。识别COX表达增加的区域也有助于筛查感染。
• [EN] NANOMETER-SIZED PRODRUGS OF NSAIDS<br/>[FR] PROMÉDICAMENTS DE DIMENSION NANOMÉTRIQUE DE NSAIDS
  申请人：CEDARS SINAI MEDICAL CENTER

  公开号：WO2009148698A1

  公开（公告）日：2009-12-10

  The present invention describes nanoprodrugs of non-steroidal anti-inflammatory drug (NSAIDs) and nanoprodrugs of α-lipoic acid-containing and NSAIDs. These nanoprodrugs have antioxidant properties and stimuli-responsiveness, which can be used to treat various disease conditions.

  本发明描述了非甾体抗炎药（NSAIDs）的纳米前药和含α-硫辛酸和NSAIDs的纳米前药。这些纳米前药具有抗氧化性能和刺激响应性，可用于治疗各种疾病情况。
• Chemo‐, Regio‐ and Stereoselective Preparation of (Z)‐2‐Butene‐1,4‐Diol Monoesters via Pd‐Catalyzed Decarboxylative Acyloxylation
  作者：Long Cheng、Jia‐Li Zhao、Xiao‐Tian Zhang、Qiao‐Sen Jia、Ni Dong、Yu Peng、Arjan W. Kleij、Xiang‐Wei Liu

  DOI：10.1002/chem.202401377

  日期：2024.7.11

  A practical method for the preparation of a wide range of 2-butene-1,4-diol monoesters using Pd-catalysis is described that combines typically high yields, high chemo-, regio- and stereocontrol under mild operating conditions. The target compounds find application in the synthesis of a range of bifunctional scaffolds that have potential in complex molecule synthesis.

  描述了一种使用 Pd 催化制备各种 2-丁烯-1,4-二醇单酯的实用方法，该方法在温和的操作条件下结合了典型的高产率、高化学、区域和立体控制。目标化合物可用于合成一系列在复杂分子合成中具有潜力的双功能支架。
• US9850183B2
  申请人：——

  公开号：US9850183B2

  公开（公告）日：2017-12-26
• [EN] CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING<br/>[FR] CONJUGUES DERIVES DE MEDICAMENTS ANTI-INFLAMMATOIRES NON STEROIDIENS ET PROCEDES D'UTILISATION DE CEUX-CI DANS L'IMAGERIE
  申请人：REILEY PHARMACEUTICALS INC

  公开号：WO2015200187A1

  公开（公告）日：2015-12-30

  Conjugates derived from non-steroidal anti-inflammatory drugs (NSAIDs) and methods of use thereof are disclosed, useful for, inter alia, identifying and localizing the site of pathology and/or inflammation responsible for the sensation of pain in a patient; for identifying the sites of primary, secondary, benign, or malignant tumors; and for diagnosing infection or confirming or ruling out suspected infection. The NSAID-based conjugates contain an imaging moiety. The conjugates concentrate at sites of increased cyclooxygenase expression, thus revealing the sites of increased prostaglandin production, which is correlated with pain and inflammation, and correlated with tumor presence and/or location. Identifying areas of increased COX expressing can also aid in screening for infections.