1-[1-(4-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]propan-2-one

• 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: 1-[1-(4-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]propan-2-one
• 化学式: C₂₀H₁₈ClNO₃
• 分子量: 355.821
• InChiKey: ZSCHAENXWRGBMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  48.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  阿西美辛叔丁基酯 在 吡啶 、 碘 、 氢化铝 作用下， 以 乙腈 为溶剂， 反应 18.0h， 以70%的产率得到吲哚美辛
  参考文献：
  名称：

  三碘化铝对甲基茴香酸酯的化学选择性酯/醚CO裂解

  摘要：

  研究了由三碘化铝介导的甲基茴香酸酯的化学选择性酯/醚的C-O裂解。邻氨基苯甲酸在低温下在二硫化碳，环己烷和乙腈中进行醚裂解。酯基团的进一步裂解在升高的温度下发生，以提供水杨酸。对茴香酸酯的裂解是溶剂依赖性的。在环己烷，酯和醚基团分别切割非选择性地得到等摩尔量的p -anisic酸与甲基p-羟基苯甲酸酯。与醚基在二硫化碳中的裂解相比，酯基在乙腈中的裂解优先。使用吡啶作为除酸剂可以改善酯的裂解反应。探究了茴香酸酯对AlI 3的对比反应性的原因，并将该方法用于裂解醋乙酰胺的叔丁酯，在这些条件下得到了不同的产物。

  DOI：

  10.1016/j.tetlet.2018.03.010

文献信息

• PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES
  申请人：dos Santos Jean Leandro

  公开号：US20120115817A1

  公开（公告）日：2012-05-10

  The present invention relates to phthalimide derivatives of non-steroidal and/or TNF-α modulating anti-inflammatory compounds as well as the process of obtaining the so-called derivatives, pharmaceutical compositions containing such derivatives and their uses, including use in the treatment of inflammatory diseases, especially those related to chronic inflammatory processes, such as rheumatoid arthritis and intestinal inflammatory diseases (for instance, Chron's disease) and the use of the referred to pharmaceutical compositions as antipyretic, analgesic and platelet antiaggregating medications.

  本发明涉及非甾体和/或调节肿瘤坏死因子-α（TNF-α）的抗炎化合物的酞酰亚胺衍生物，以及获得所述衍生物的方法、包含该衍生物的药物组合物及其用途，包括用于治疗炎症疾病，尤其是与慢性炎症过程相关的疾病，例如类风湿性关节炎和肠道炎症疾病（例如，克罗恩病），以及将所述药物组合物用作退热剂、镇痛剂和抗血小板聚集药物的使用。
• PHOTOSENSITIZER AND DERIVATIVES AND APPLICATION THEREOF
  申请人：DALIAN UNIVERSITY OF TECHNOLOGY

  公开号：US20210030873A1

  公开（公告）日：2021-02-04

  A photosensitizer and derivative, application thereof. The photosensitizer has the structure of general formula I, wherein X is S or Se, Y is organic or inorganic ion, R 1 and R 2 are independently selected from H, alkyl, alkoxy, alkyl amido, alkyl azide and the like; R 3 is selected from H, alkyl, alkoxy, amino sulfonyl, hydroxyl, carboxyl and the like, and L 1 is a linker selected from —(CH 2 ) n1 — or —(CH 2 CH 2 O) n2 —. The derivatives are molecular medicines with drug molecules of anticancer and chemotherapy or tumor targeting function connected to the said photosensitizer. The photosensitizer has excellent near infrared characteristics and low dark toxicity and is used in the field of photodynamic tumor therapy. The introduction of benzophenothiazine or benzophenoselenazine into derivatives with tumor-targeting function could improve the specific uptake of photosensitizer in tumor tissues. Moreover, clinical anticancer drugs can be introduced into the structure of benzophenothiazine or benzophenoselenazine to achieve the purpose of combining therapy of photodynamic therapy and chemotherapy.

  一种光敏剂及其衍生物的应用。该光敏剂具有一般式I的结构，其中X为S或Se，Y为有机或无机离子，R1和R2分别选自H、烷基、烷氧基、烷基酰胺基、烷基叠氮基等；R3选自H、烷基、烷氧基、氨基磺酰基、羟基、羧基等，L1为选自—(CH2)n1—或—( O)n2—的连接剂。这些衍生物是具有抗癌和化疗或肿瘤靶向功能的药物分子。该光敏剂具有优异的近红外特性和低暗毒性，用于光动力学肿瘤治疗领域。将苯并噻嗪或苯并硒噻嗪引入具有肿瘤靶向功能的衍生物中，可以提高光敏剂在肿瘤组织中的特异性摄取。此外，临床抗癌药物可以引入苯并噻嗪或苯并硒噻嗪的结构中，以实现光动力疗法和化疗的联合治疗目的。
• [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION<br/>[FR] COMPOSITIONS ET MÉTHODES POUR LE TRAITEMENT D'UNE INFLAMMATION
  申请人：CELLIX BIO PRIVATE LTD

  公开号：WO2018115984A1

  公开（公告）日：2018-06-28

  The disclosures herein provide compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These compounds may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral administration, intravenous, spray, parenteral, lozenge, solution, syrup, sachet, transdermal administration, or injection. Such compositions may be used to treatment of inflammation or its associated complications.

  本公开提供了化合物I的结构或其药用可接受的盐，以及其多晶型、对映体、立体异构体、溶剂合物和水合物。这些化合物可以制备成药物组合物。药物组合物可以制备成口服、静脉注射、喷雾、注射、含片、溶液、糖浆、小包装、经皮给药或注射的药物。这些组合物可用于治疗炎症或其相关并发症。
• Photosensitizer and derivatives and application thereof
  申请人：DALIAN UNIVERSITY OF TECHNOLOGY

  公开号：US11504428B2

  公开（公告）日：2022-11-22

  A photosensitizer and derivative, application thereof. The photosensitizer has the structure of general formula I, wherein X is S or Se, Y is organic or inorganic ion, R1 and R2 are independently selected from H, alkyl, alkoxy, alkyl amido, alkyl azide and the like; R3 is selected from H, alkyl, alkoxy, amino sulfonyl, hydroxyl, carboxyl and the like, and L1 is a linker selected from —(CH2)n1— or —(CH2CH2O)n2—. The derivatives are molecular medicines with drug molecules of anticancer and chemotherapy or tumor targeting function connected to the said photosensitizer. The photosensitizer has excellent near infrared characteristics and low dark toxicity and is used in the field of photodynamic tumor therapy. The introduction of benzophenothiazine or benzophenoselenazine into derivatives with tumor-targeting function could improve the specific uptake of photosensitizer in tumor tissues. Moreover, clinical anticancer drugs can be introduced into the structure of benzophenothiazine or benzophenoselenazine to achieve the purpose of combining therapy of photodynamic therapy and chemotherapy.

  一种光敏剂及其衍生物和应用。该光敏剂具有通式I的结构，其中X为S或Se，Y为有机或无机离子，R1和R2独立地选自H、烷基、烷氧基、烷基氨基、烷基叠氮等；R3选自H、烷基、烷氧基、氨基磺酰基、羟基、羧基等，L1为选自-(CH2)n1-或-( O)n2-的连接体。这些衍生物是与上述光敏剂相连的具有抗癌、化疗或肿瘤靶向功能的药物分子的分子药物。该光敏剂具有优异的近红外特性和较低的暗毒性，可用于光动力肿瘤治疗领域。在具有肿瘤靶向功能的衍生物中引入苯并吩噻嗪或苯并吩硒嗪，可以提高光敏剂在肿瘤组织中的特异性吸收。此外，还可将临床抗癌药物引入苯并吩噻嗪或苯并吩嗪的结构中，达到光动力疗法与化疗相结合的目的。
• NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE
  申请人：Vizioli Ednir de Oliveira

  公开号：US20110118303A1

  公开（公告）日：2011-05-19

  The present invention relates to compounds derived from taurine with non-steroidal anti inflammatory activity. In a first embodiment, the present invention relates to compounds derived from taurine, in which taurine is bound directly by means of an amide bond or through an spacing group, to a compound selected from the group of non-steroidal anti inflammatory compounds, cited as derived from taurine presenting the Formula (I): in which R means the component with non-steroidal anti inflammatory activity. In a second embodiment, the invention provides a process for obtaining the compounds of Formula (I) by reaction of taurine with a compound belonging to the group of non-steroidal anti inflammatory (NSAIs), in order to obtain a compound derived from taurine by direct bond or through a spacing group of the taurine to the NSAI. The invention also relates to the pharmaceutical compositions comprising at least one compound derived from taurine presenting non-steroidal anti inflammatory activity.