5-methoxy-2-methyl-1-(2,4,6-trichlorobenzoyl)-1H-indole-3-acetic acid | 168086-64-4

• 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-1-(2,4,6-trichlorobenzoyl)-1H-indole-3-acetic acid
• 英文别名: L-748,780；1-(2,4,6-trichlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl acetic acid；1-(2,4,6-Trichlorobenzoyl)-5-methoxy-2-methyl-3-indolyl acetic acid；2-[5-methoxy-2-methyl-1-(2,4,6-trichlorobenzoyl)indol-3-yl]acetic acid
• CAS: 168086-64-4
• 化学式: C₁₉H₁₄Cl₃NO₄
• 分子量: 426.683
• InChiKey: WUJUBERMAKRECF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl [1-(2,4,6-trichlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate 在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以73%的产率得到5-methoxy-2-methyl-1-(2,4,6-trichlorobenzoyl)-1H-indole-3-acetic acid
  参考文献：
  名称：

  Atropisomerism Observed in Indometacin Derivatives

  摘要：

  To elucidate the active conformation of indometacin that differentiates between cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2), the stereochemistry around the N-benzoylated indole moiety of indometacin was studied. Resolution of stable atropisomers as representative conformations was found to be possible by restricting rotation about the N-C7' and/or C7'-C1' bond. Only the aR-isomer showed specific inhibition of COX-1, and COX-2 was not inhibited by either atropisomer.

  DOI：

  10.1021/ol103008d

文献信息

• 1-aroyl-3-indolyl alkanoic acids and derivatives thereof useful as
  申请人：Merck Frosst Canada, Inc.

  公开号：US05436265A1

  公开（公告）日：1995-07-25

  Compounds of the structures shown below are specific inhibitors of cyclooxygenase-2 useful in the treatment of cyclooxygenase-2 mediated disease states such as inflammation, pain and fever, and are non-ulcerogenic. ##STR1##

  下面显示的结构化合物是特定的环氧合酶-2抑制剂，对于治疗环氧合酶-2介导的疾病状态，如炎症、疼痛和发热非常有用，并且不具有溃疡原性。
• PHARMACEUTICAL COMPOSITIONS CONTAINING A COX-II INHIBITOR AND A MUSCLE RELAXANT
  申请人：Osmotica Corp.

  公开号：EP1362585A2

  公开（公告）日：2003-11-19

  The present invention provides a pharmaceutical composition and dosage form containing in combination a COX-II inhibitor and a muscle relaxant. The pharmaceutical composition is useful for the treatment of pain and pain related disorders and symptoms. The combination provides an improved therapeutic response as compared to either drug alone. The pharmaceutical composition can be included in any dosage form.

  本发明提供了一种药物组合物和剂型，其中含有一种 COX-II 抑制剂和一种肌肉松弛剂。该药物组合物可用于治疗疼痛及疼痛相关疾病和症状。与单独使用其中一种药物相比，该组合物可提供更好的治疗反应。该药物组合物可以包含在任何剂型中。
• Degradable implantable medical devices
  申请人：Elixir Medical Corporation

  公开号：US10350093B2

  公开（公告）日：2019-07-16

  Devices and methods are provided for an implantable medical device which is degradable over a clinically relevant period of time. The medical devices may have the form of implants, graft implants, vascular implants, non vascular implants, wound closure implants, sutures, drug delivery implants, biologic delivery implants, urinary tract implants, inter-uterine implants, organ implants, bone implants including bone plates, bone screws, dental implants, spinal disks, or the like. In preferred embodiments, the implantable medical device comprises an implantable luminal prosthesis, such as vascular and non-vascular stents and stents grafts.

  本发明提供了可在临床相关时间内降解的植入式医疗器械的设备和方法。这些医疗器械可以是植入物、移植植入物、血管植入物、非血管植入物、伤口闭合植入物、缝合线、给药植入物、生物给药植入物、泌尿道植入物、子宫间植入物、器官植入物、骨植入物（包括骨板、骨螺钉）、牙科植入物、椎间盘或类似物。在优选的实施方案中，植入式医疗器械包括植入式管腔假体，如血管和非血管支架和支架移植物。
• Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents
  申请人：——

  公开号：US20030225054A1

  公开（公告）日：2003-12-04

  This invention relates to a method of treating inflammatory diseases in a mammal comprising administering to the mammal a therapeutically effective amount of a combination of: (i) at least one TACE inhibitor of Formula (I), (II), (III), or (IV) of the present invention or a stereoisomer or pharmaceutically acceptable salt form thereof, (ii) one or more anti-inflammatory agents selected from the group consisting of: selective COX-2 inhibitors, interleukin-1 antagonists, dihydroorotate synthase inhibitors, p38 MAP kinase inhibitors, TNF-&agr; inhibitors, TNF-&agr; sequestration agents, and methotrexate. The invention also relates to compositions and kits containing the same.

  本发明涉及一种治疗哺乳动物炎症性疾病的方法，该方法包括向哺乳动物施用治疗有效量的以下物质的组合：(i)至少一种本发明式(I)、(II)、(III)或(IV)的TACE抑制剂或其立体异构体或药学上可接受的盐形式，(ii)一种或多种选自由以下组成的组的抗炎剂：选择性 COX-2 抑制剂、白细胞介素-1 拮抗剂、二氢烟酸合成酶抑制剂、p38 MAP 激酶抑制剂、TNF-&agr; 抑制剂、TNF-&agr; 封闭剂和甲氨蝶呤。本发明还涉及含有上述成分的组合物和试剂盒。
• 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。