1-(5-Pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-propan-2-one | 81555-94-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-(5-Pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-propan-2-one
• 英文别名: 1-[(5-Pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one
• CAS: 81555-94-4
• 化学式: C₁₀H₉N₃O₂S
• mdl: MFCD03734092
• 分子量: 235.266
• InChiKey: ZUWCGPXMMPUXAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  94.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(5-Pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-propan-2-one 在 一水合肼 作用下， 以 溶剂黄146 为溶剂， 反应 4.0h， 以61%的产率得到6-Methyl-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
  参考文献：
  名称：

  Ring transformation of 1,3,4-oxadiazole to s-triazole-fused heterocycles. New synthetic route for thiazolo[2,3-c]-s-triazole and 7H-s-triazolo[3,4-b][1,3,4]thiadiazine

  摘要：

  DOI：

  10.1021/jo00135a014
• 作为产物：
  描述：

  5-(3-吡啶基)-1,3,4-噁二唑-2-硫醇 、 一氯丙酮 在 sodium hydroxide 作用下， 反应 12.0h， 以63%的产率得到1-(5-Pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-propan-2-one
  参考文献：
  名称：

  Ring transformation of 1,3,4-oxadiazole to s-triazole-fused heterocycles. New synthetic route for thiazolo[2,3-c]-s-triazole and 7H-s-triazolo[3,4-b][1,3,4]thiadiazine

  摘要：

  DOI：

  10.1021/jo00135a014

文献信息

• SASAKI, TADASHI;ITO, EIKOH;SHIMIZU, IKUO, J. ORG. CHEM., 1982, 47, N 14, 2757-2760
  作者：SASAKI, TADASHI、ITO, EIKOH、SHIMIZU, IKUO

  DOI：——

  日期：——
• THERAPEUTIC AGENTS FOR TREATING AND PREVENTING AUTOIMMUNE DISEASES AND CANCER AND A SCREENING METHOD
  申请人：KING FAISAL UNIVERSITY

  公开号：US20200338058A1

  公开（公告）日：2020-10-29

  A method for treating and preventing autoimmune diseases and cancer can include administering to a subject in need thereof a therapeutically effective amount of a pharmaceutical composition comprising an Arid5a inhibitor and a pharmaceutically acceptable carrier. A screening method can include identifying candidate Arid5a inhibitors through in silico predicted binding to Arid5a target domains (Pocket X) and confirming Arid5a inhibition through in vitro by binding and luciferase assays.
• [EN] THERAPEUTIC AGENTS FOR TREATING AND PREVENTING AUTOIMMUNE DISEASES AND CANCER AND A SCREENING METHOD<br/>[FR] AGENTS THÉRAPEUTIQUES POUR LE TRAITEMENT ET LA PRÉVENTION DE MALADIES AUTO-IMMUNES ET DU CANCER ET MÉTHODE DE DÉPISTAGE
  申请人：KING FAISAL UNIV

  公开号：WO2022003439A1

  公开（公告）日：2022-01-06

  A method for treating and preventing autoimmune diseases and cancer can include administering to a subject in need thereof a therapeutically effective amount of a pharmaceutical composition comprising an Arid5a inhibitor and a pharmaceutically acceptable carrier. A screening method can include identifying candidate Arid5a inhibitors through in silico predicted binding to Arid5a target domains (Pocket X) and confirming AridSa inhibition through in vitro by binding and luciferase assays.