3,7-bis(benzylsulfanyl)-12-(propan-2-yl)-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: 3,7-bis(benzylsulfanyl)-12-(propan-2-yl)-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
• 英文别名: 3,8-bis(benzylsulfanyl)-15-propan-2-yl-16-oxa-19-thia-2,4,5,7,9,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene
• 化学式: C₂₈H₂₆N₆OS₃
• 分子量: 558.7
• InChiKey: VWUHZMJUWROMOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  150
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• Compositions and Methods Related to Fructosamine-3-Kinase Inhibitors
  申请人：Schwartz Michael

  公开号：US20100297046A1

  公开（公告）日：2010-11-25

  The invention relates to compounds and methods for inhibiting production and function of 3-deoxyglucosone and other alpha-dicarbonyl sugars in skin, by way of fructosamine-3-kinase inhibition, thereby treating or prevention various diseases, disorders or conditions. Additionally, the invention relates to treatment of various diseases, disorders or conditions associated with or mediated by oxidative stress since 3DG induces ROS and AGEs, which are associated with the inflammatory response caused by oxidative stress.
• [EN] COMPOSITIONS AND METHODS RELATED TO FRUCTOSAMINE-3-KINASE INHIBITORS<br/>[FR] COMPOSITIONS ET PROCEDES RELATIFS AUX INHIBITEURS DE LA FRUCTOSAMINE-3-KINASE
  申请人：DYNAMIS THERAPEUTICS INC

  公开号：WO2007117394A2

  公开（公告）日：2007-10-18

  [EN] The invention relates to compounds and methods for inhibiting production and function of 3-deoxyglucosone and other alpha-dicarbonyl sugars in skin, by way of fructosamine-3-kinase inhibition, thereby treating or prevention various diseases, disorders or conditions. Additionally, the invention relates to treatment of various diseases, disorders or conditions associated with or mediated by oxidative stress since 3DG induces ROS and AGEs, which are associated with the inflammatory response caused by oxidative stress.
  [FR] La présente invention concerne des composés et procédés d'inhibition de la production et de la fonction de la 3-désoxyglucosone et d'autres sucres alpha-dicarbonyle dans la peau, par le biais de l'inhibition de la fructosamine-3-kinase, ce qui permet de traiter ou de prévenir divers troubles, maladies ou états pathologiques. En outre, la présente invention concerne le traitement de divers troubles, maladies ou états pathologiques associés à ou induits par le stress oxydant, car 3DG induit des ROS (espèces oxygénées radicalaires) et des AGE (produits terminaux de glycation), lesquels sont associés à la réponse inflammatoire provoquée par le stress oxydant.