9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-13-carboxylic acid ethyl ester | 38969-50-5

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 原小檗碱生物碱及其衍生物
• 英文名称: 9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-13-carboxylic acid ethyl ester
• 英文别名: Ethyl 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene-21-carboxylate
• CAS: 38969-50-5
• 化学式: C₂₃H₂₅NO₆
• 分子量: 411.455
• InChiKey: RNGMSVONBCVTNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  66.5
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• Novel 8-Oxoprotoberberine Derivative or Pharmaceutically Acceptable Salt Thereof, Preparation Method Therefor and Pharmaceutical Composition for Preventing or Treating Diseases Associated with Activity of NFAT5, Containing Same as Active Ingredient
  申请人：Korea Research Institute of Chemical Technology

  公开号：US20160251368A1

  公开（公告）日：2016-09-01

  The preset invention relates to a novel 8-oxoprotoberberine derivative or a pharmaceutically acceptable salt thereof, a preparation method thereof, and a pharmaceutical composition for preventing or treating diseases associated with the activity of NFAT5 containing the same as an active ingredient. The novel 8-oxoproteoberberine derivative or the pharmaceutically acceptable salt thereof according to the present invention can be useful in a pharmaceutical composition for preventing or treating diseases associated with the activity of NFAT5, particularly rheumatoid arthritis or inflammatory diseases, since it is ascertained that the derivative or a pharmaceutically acceptable salt thereof has remarkably increased oral absorption compared with known protoberberine due to an improvement in the properties thereof, and inhibits the activity of NFAT5 and the secretion of inflammatory cytokines and reduces the expression of NAFT5 in mice with rheumatoid arthritis by directly inhibiting the transcription of NFT5.

  该预设发明涉及一种新颖的8-氧基小檗碱衍生物或其药学上可接受的盐，其制备方法以及将其作为活性成分的预防或治疗与NFAT5活性相关疾病的药物组合物。根据本发明，该新型8-氧基小檗碱衍生物或其药学上可接受的盐可以用于预防或治疗与NFAT5活性相关的疾病的药物组合物，特别是风湿性关节炎或炎症性疾病，因为已经确定该衍生物或其药学上可接受的盐与已知的小檗碱相比具有明显增加的口服吸收率，这是由于其性质的改进，抑制了NFAT5的活性和炎症细胞因子的分泌，并通过直接抑制NFT5的转录减少了具有风湿性关节炎的小鼠中NAFT5的表达。
• US9650389B2
  申请人：——

  公开号：US9650389B2

  公开（公告）日：2017-05-16