(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methanamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methanamine
• 英文别名: 5-Aminomethyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole；[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
• 化学式: C₁₀H₁₁N₃O₂
• mdl: MFCD06738195
• 分子量: 205.216
• InChiKey: ZRPOFSQMZMBMLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  74.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methanamine 、 苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.25h， 以81%的产率得到N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methyl}benzenesulfonamide
  参考文献：
  名称：

  Synthesis, Molecular Docking, Analgesic, and Anti-Inflammatory Activities of New 1,2,4-Oxadiazolo-Sulfonamides

  摘要：

  In the present study novel 1,2,4-oxadiazolo sulfonamides 3a-3o are synthesized by an efficient method based on the reaction of 1,2,4-oxadiazole amines with aryl sulfonyl chlorides. Structures of the synthesized compounds are confirmed by IR, NMR and Mass spectra. Molecular interactions of the obtained compounds are studied by Discovery Studio v3.5, molecular docking with COX-2 enzyme. The compounds with high LibDock score are screened for their in vivo analgesic and anti inflammatory activities. The compound 3l demonstrates the highest activity.

  DOI：

  10.1134/s1070363218040278
• 作为产物：
  描述：

  5-氯甲基-3-(4-甲氧基苯基)-1,2,4-恶二唑 在 一水合肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 (3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methanamine
  参考文献：
  名称：

  Synthesis, Molecular Docking, Analgesic, and Anti-Inflammatory Activities of New 1,2,4-Oxadiazolo-Sulfonamides

  摘要：

  In the present study novel 1,2,4-oxadiazolo sulfonamides 3a-3o are synthesized by an efficient method based on the reaction of 1,2,4-oxadiazole amines with aryl sulfonyl chlorides. Structures of the synthesized compounds are confirmed by IR, NMR and Mass spectra. Molecular interactions of the obtained compounds are studied by Discovery Studio v3.5, molecular docking with COX-2 enzyme. The compounds with high LibDock score are screened for their in vivo analgesic and anti inflammatory activities. The compound 3l demonstrates the highest activity.

  DOI：

  10.1134/s1070363218040278

文献信息

• Design, Synthesis, and Cytotoxicity of Semisynthetic Betulinic Acid-1,2,4-Oxadiazole Amide Derivatives
  作者：C. Krishna、M. V. Bhargavi、G. L. D. Krupadanam

  DOI：10.1134/s1070363218020196

  日期：2018.2

  Biological activity of betulinic acid derivatives containing a 1,2,4-oxadiazole ring prompted us to synthesize betulinic acid-1,2,4-oxadiazole amide derivatives 14-25 starting with the amide coupling reaction of betulinic acid 1 and (3-aryl-1,2,4-oxadiazol-5-yl)methanamines 2-13. The products were tested for cytotoxicity on three human cancer cell lines in vitro. All tested compounds demonstrated high activity. The structures of the synthesized compounds were elucidated from IR, NMR and mass spectra.
• METHODS OF TREATING MILD BRAIN INJURY
  申请人：Oxeia Biopharmaceuticals Inc.

  公开号：EP3182992A1

  公开（公告）日：2017-06-28
• [EN] METHODS OF TREATING MILD BRAIN INJURY<br/>[FR] MÉTHODES DE TRAITEMENT D'UNE LÉSION CÉRÉBRALE LÉGÈRE
  申请人：OXEIA BIOPHARMACEUTICALS INC

  公开号：WO2016028826A1

  公开（公告）日：2016-02-25

  The present disclosure provides methods for treating mild brain injury and other neurological disorders in a subject in need thereof, comprising administering to the subject an effective amount of a compound comprising a ghrelin or ghrelin variant. This invention provides for methods for treating a mild brain injury or concussion in a patient wherein said method comprises administering to the subject in need thereof suffering from said mild brain injury or concussion an effective amount of a ghrelin variant or a composition comprising a ghrelin variant so as to treat said mild brain injury or concussion.
• [EN] METHODS OF TREATING NEURODEGENERATIVE CONDITIONS<br/>[FR] MÉTHODES DE TRAITEMENT DE TROUBLES NEURODÉGÉNÉRATIFS
  申请人：OXEIA BIOPHARMACEUTICALS INC

  公开号：WO2017075535A1

  公开（公告）日：2017-05-04

  The present disclosure provides methods for treating a neurodegenerative condition or situation in a subject in need thereof, comprising administering to the subject an effective amount of a compound comprising ghrelin or a ghrelin variant.
• Synthesis, Molecular Docking, Analgesic, and Anti-Inflammatory Activities of New 1,2,4-Oxadiazolo-Sulfonamides
  作者：M. Vijaya Bhargavi、P. Shashikala、M. Sumakanth、C. Krishna

  DOI：10.1134/s1070363218040278

  日期：2018.4

  In the present study novel 1,2,4-oxadiazolo sulfonamides 3a-3o are synthesized by an efficient method based on the reaction of 1,2,4-oxadiazole amines with aryl sulfonyl chlorides. Structures of the synthesized compounds are confirmed by IR, NMR and Mass spectra. Molecular interactions of the obtained compounds are studied by Discovery Studio v3.5, molecular docking with COX-2 enzyme. The compounds with high LibDock score are screened for their in vivo analgesic and anti inflammatory activities. The compound 3l demonstrates the highest activity.