2-hydroxy-5-(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenamidobenzoic acid | 1204318-01-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-hydroxy-5-(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenamidobenzoic acid
• 英文别名: 2-hydroxy-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]benzoic acid
• CAS: 1204318-01-3
• 化学式: C₂₇H₃₅NO₄
• 分子量: 437.579
• InChiKey: OFJHRYUJDMRLJW-JLNKQSITSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  32
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  86.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-hydroxy-5-(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenamidobenzoic acid 在 三乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 1.03h， 生成 1-(octanoyloxy)ethyl 5-((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenamido)-2-(((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl)oxy)benzoate
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME
  [FR] COMPOSITIONS ET PROCÉDÉS POUR LE TRAITEMENT DU SYNDROME DU CÔLON IRRITABLE

  摘要：

  本公开提供化合物的公式I、公式II、公式III、公式IV、公式V、公式VI、公式VII、公式VIII、公式IX、公式X、公式XI、公式XII、公式XIII、公式XIV和公式XV，或其药用可接受盐，以及其多型、对映体、立体异构体、溶剂合物和水合物。这些盐可以制成药物组合物。药物组合物可以制成口服、栓剂、经皮、颊部、直肠、局部、经皮、经粘膜、静脉、全身、糖浆或注射用药物。这些组合物可用于治疗肠易激综合征（IBS）、炎症性肠病或其相关并发症。

  公开号：

  WO2018029545A1
• 作为产物：
  描述：

  2-氯-5-硝基苯甲酸 在 sodium carbonate 、 三乙胺 、 potassium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 130.0 ℃ 、101.33 kPa 条件下， 反应 12.83h， 生成 2-hydroxy-5-(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenamidobenzoic acid
  参考文献：
  名称：

  炎症性腸疾患の治療のための組成物及び方法

  摘要：

  This invention relates to compounds of Formula I and Formula II or their pharmaceutically acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers, and hydrates thereof. Pharmaceutical compositions comprising an effective amount of a compound of Formula I or Formula II. Methods for treating or preventing inflammatory bowel diseases can be formulated for oral, oral cavity, rectal, topical, transdermal, transmucosal, intravenous, non-oral administration, syrup formulations, or injections. Such compositions can be used for the treatment of inflammatory bowel diseases, ulcerative colitis, mild to moderate Crohn's disease, rheumatoid arthritis, inflammatory arthritis, psoriatic arthritis, cirrhosis, and idiopathic urticaria gastrointestinal diseases.【Selection figure】None

  公开号：

  JP2015522549A

文献信息

• FATTY ACID ACETYLATED SALICYLATES AND THEIR USES
  申请人：Milne Jill C.

  公开号：US20100041748A1

  公开（公告）日：2010-02-18

  The invention relates to Fatty Acid Acetylated Salicylate Derivatives; compositions comprising an effective amount of a Fatty Acid Acetylated Salicylate Derivative; and methods for treating or preventing an inflammatory disorder comprising the administration of an effective amount of a Fatty Acid Acetylated Salicylate Derivative.

  本发明涉及脂肪酸乙酰水杨酸衍生物；包含有效量的脂肪酸乙酰水杨酸衍生物的组合物；以及用于治疗或预防炎症性疾病的方法，包括给药有效量的脂肪酸乙酰水杨酸衍生物。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE
  申请人：Cellix Bio Private Limited

  公开号：US20160120839A1

  公开（公告）日：2016-05-05

  The invention relates to the compounds of formula I and formula II or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I or formula II; and methods for treating or preventing inflammatory bowel disease may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of gastrointestinal diseases and inflammation such as inflammatory bowel disease, ulcerative colitis, mild-to-moderate Crohn's disease, rheumatoid arthritis, inflammatory arthritis, psoriatic arthritis, liver cirrhosis and idiopathic urticaria.

  该发明涉及公式I和公式II的化合物或其药用可接受盐，以及其多晶形、溶剂合物、对映体、立体异构体和水合物。含有公式I或公式II化合物的有效量的药物组合物；以及治疗或预防炎症性肠病的方法可制备为口服、颊内、直肠、局部、经皮、经粘膜、静脉、肠内、糖浆或注射。这些组合物可用于治疗胃肠疾病和炎症，如炎症性肠病、溃疡性结肠炎、轻度至中度克罗恩病、类风湿关节炎、炎症性关节炎、银屑病性关节炎、肝硬化和特发性荨麻疹。
• Compositions and methods for the treatment of inflammatory bowel disease
  申请人：Kandula Mahesh

  公开号：US09498461B2

  公开（公告）日：2016-11-22

  The invention relates to the compounds of formula I and formula II or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I or formula II; and methods for treating or preventing inflammatory bowel disease may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of gastrointestinal diseases and inflammation such as inflammatory bowel disease, ulcerative colitis, mild-to-moderate Crohn's disease, rheumatoid arthritis, inflammatory arthritis, psoriatic arthritis, liver cirrhosis and idiopathic urticaria.

  该发明涉及式I和式II化合物或其药用可接受的盐，以及其多晶型、溶剂合物、对映体、立体异构体和水合物。包括有效量的式I或式II化合物的药物组合物；以及用于治疗或预防炎症性肠病的方法可以制成口服、颊下、直肠、局部、经皮、经粘膜、静脉、肠内、糖浆或注射剂。这些组合物可用于治疗胃肠疾病和炎症，如炎症性肠病、溃疡性结肠炎、轻至中度的克罗恩病、类风湿关节炎、炎性关节炎、银屑病性关节炎、肝硬化和特发性荨麻疹。
• [EN] FATTY ACID ACETYLATED SALICYLATES AND THEIR USES<br/>[FR] SALICYLATES ACÉTYLÉS D'ACIDES GRAS ET LEURS UTILISATIONS
  申请人：CATABASIS PHARMACEUTICALS INC

  公开号：WO2010006085A1

  公开（公告）日：2010-01-14

  The invention relates to Fatty Acid Acetylated Salicylate Derivatives; compositions comprising an effective amount of a Fatty Acid Acetylated Salicylate Derivative; and methods for treating or preventing an inflammatory disorder comprising the administration of an effective amount of a Fatty Acid Acetylated Salicylate Derivative.

  该发明涉及脂肪酸乙酰化水杨酸衍生物；包含有效量脂肪酸乙酰化水杨酸衍生物的组合物；以及治疗或预防炎症性疾病的方法，包括给予有效量脂肪酸乙酰化水杨酸衍生物。
• Fatty Acid Acylated Salicylates and Their Uses
  申请人：Vu Chi B.

  公开号：US20100184730A1

  公开（公告）日：2010-07-22

  The invention relates to fatty acid acylated salicylate derivatives; compositions comprising an effective amount of a fatty acid acylated salicylate derivative; and methods for treating or preventing an inflammatory disorder comprising the administration of an effective amount of a fatty acid acylated salicylate derivative.

  本发明涉及脂肪酸酰化水杨酸衍生物，包括含有效量脂肪酸酰化水杨酸衍生物的组合物，以及治疗或预防炎症性疾病的方法，其中包括给予有效量的脂肪酸酰化水杨酸衍生物。