| 902134-31-0

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 吗啡烷
• CAS: 902134-31-0
• 化学式: C₂₅H₂₇N₃O₂
• 分子量: 401.508
• InChiKey: RYZYCTUGCDJLST-YFLQWDEBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.57
• 重原子数：
  30.0
• 可旋转键数：
  1.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  58.48
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  3,4-二氨基甲苯 、 Sinomeninon 以 氯仿 为溶剂， 反应 8.0h， 生成 、 (6S,6aS,14aR)-2-methoxy-10,17-dimethyl-6,6a,7,14-tetrahydro-5H-6,14a-(epiminoethano)naphtho[1,2-b]phenazin-1-ol
  参考文献：
  名称：

  Modification of poorly bioactive sinomenine into more potent immunosuppressive agents by embedding of drug-like fragments

  摘要：

  Embedment of drug-like heterocyclic moieties was Successfully employed in the novel modification of the readily available but poorly bioactive natural alkaloid sinomenine. Application of the newly proposed approach afforded a number of more potent sinomenine-like molecules with a significantly high hit rate. Among these new analogous, up to 500-fold increase of in vitro immunosuppressive activity was achieved. Further biological experiments of representative compound 4b indicated that it might inhibit NF-kappa B activation induced by TNF-alpha in a dose dependent way and showed remarkable in vivo treatment effects against the mouse experimental autoimmune uveoretinitis (EAU) disease models. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.11.019