2-hydroxy-5-(octadeca-9-enamido)benzoic acid

• 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-(octadeca-9-enamido)benzoic acid
• 英文别名: 2-Hydroxy-5-(octadec-9-enoylamino)benzoic acid
• 化学式: C₂₅H₃₉NO₄
• 分子量: 417.589
• InChiKey: NWIRSHIHTZESJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  30
• 可旋转键数：
  17
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  86.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  油酸 、 5-氨基水杨酸 在 4-二甲氨基吡啶 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以73%的产率得到2-hydroxy-5-(octadeca-9-enamido)benzoic acid
  参考文献：
  名称：

  5-氨基水杨酸脂肪酸衍生物的合成，生物活性评估和对接研究

  摘要：

  摘要为了增强5-氨基水杨酸的生物活性，制备了一些新的5-氨基水杨酸油酸，亚油酸，月桂酸衍生物。所有新化合物的结构均通过光谱法确认。此外，还研究了新合成化合物的体外抗菌，抗癌和抗炎活性。研究了对致病性革兰氏阴性菌，大肠杆菌和革兰氏阳性菌，金黄色葡萄球菌的抗菌活性。 via disc diffusion method. Additionally, all derivatives’ anti-inflammatory activity were evaluated through NO suppression assay using interferon gamma (IFN-γ)/lipopolysaccharide (LPS)-stimulated RAW264.7 macrophages. Furthermore, in vitro cytotoxicity assay was probed

  DOI：

  10.1007/s00706-015-1538-0

文献信息

• CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF
  申请人：MedWell Laboratories Ltd.

  公开号：US20160120995A1

  公开（公告）日：2016-05-05

  Novel chemical conjugates derived from unsaturated fatty acids and therapeutically active agents, are disclosed. The chemical conjugates are designed and characterized as COX-2 and/or 5-LOX inhibitors and are useful in the treatment of inflammatory diseases, dermatitis and disorders such as Alzheimer's disease, Parkinson's disease, asthma, osteoarthritis, rheumatoid arthritis, pain, primary dysmenorrhea, Crohn's disease and ulcerative colitis.

  本发明揭示了从不饱和脂肪酸和治疗活性剂衍生的新型化学共轭物。这些化学共轭物被设计和表征为COX-2和/或5-LOX抑制剂，并可用于治疗炎症性疾病、皮炎和阿尔茨海默病、帕金森病、哮喘、骨关节炎、类风湿性关节炎、疼痛、原发性痛经、克罗恩病和溃疡性结肠炎等疾病。
• [EN] CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF<br/>[FR] CONJUGUÉS D'ACIDES GRAS POLYINSATURÉS ET DE COMPOSÉS CONTENANT DES AMINES ET LEURS UTILISATIONS
  申请人：MEDWELL LAB LTD

  公开号：WO2012032509A2

  公开（公告）日：2012-03-15

  Novel chemical conjugates derived from unsaturated fatty acids and therapeutically active agents, are disclosed. The chemical conjugates are designed and characterized as COX-2 and/or 5-LOX inhibitors and are useful in the treatment of inflammatory diseases and disorders such as Alzheimer's disease, Parkinson's disease, asthma, osteoarthritis, rheumatoid arthritis, pain, primary dysmenorrhea, Crohn's disease and ulcerative colitis.
• Synthesis, bioactivity evaluation, and docking study of 5-aminosalicylic acid’s fatty acid derivatives
  作者：Samira Yousefi、Saadi Bayat、Mohd Basyaruddin Abdul Rahman、Intan Safinar Ismail、Elnaz Saki、Sze Wei Leong、Emilia Abdulmalek

  DOI：10.1007/s00706-015-1538-0

  日期：2015.12

  AbstractSome new oleic acid, linoleic acid, lauric acid derivatives of 5-aminosalicylic acid were produced in order to enhance bioactivity properties of 5-aminosalicylic acid. All new compounds’ structures were confirmed by spectroscopic methods. Moreover, in vitro antibacterial, anticancer, and anti-inflammatory activities of new synthesized compounds were investigated. Antibacterial activity was

  摘要为了增强5-氨基水杨酸的生物活性，制备了一些新的5-氨基水杨酸油酸，亚油酸，月桂酸衍生物。所有新化合物的结构均通过光谱法确认。此外，还研究了新合成化合物的体外抗菌，抗癌和抗炎活性。研究了对致病性革兰氏阴性菌，大肠杆菌和革兰氏阳性菌，金黄色葡萄球菌的抗菌活性。 via disc diffusion method. Additionally, all derivatives’ anti-inflammatory activity were evaluated through NO suppression assay using interferon gamma (IFN-γ)/lipopolysaccharide (LPS)-stimulated RAW264.7 macrophages. Furthermore, in vitro cytotoxicity assay was probed