(1R,2R,4S,9S,17S)-4-(propylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane-6-thione | 1261068-17-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: (1R,2R,4S,9S,17S)-4-(propylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane-6-thione
• CAS: 1261068-17-0
• 化学式: C₁₈H₃₁N₃S
• 分子量: 321.53
• InChiKey: SXQICJLLTTTZCA-UJHHCITNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  50.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  正丙胺 、 15-thiosophocarpine 在 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 (1R,2R,4S,9S,17S)-4-(propylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane-6-thione
  参考文献：
  名称：

  Synthesis and in vitro inhibitory activity of matrine derivatives towards pro-inflammatory cytokines

  摘要：

  Matrine, a sophora alkaloid, exhibited good anti-inflammation effects in our previous report. In the present study, a series of matrine derivatives were synthesized via classical Michael addition. Biological studies showed that the synthetic derivatives had good inhibitory effect towards TNF-alpha production and NF kappa B transcriptional activity. The introduction of various amino groups to the keto beta position could improve the biochemical profile, resulting in the identification of more potent derivates, such as 1f, with higher inhibitory activity than both matrine and sophoramine. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.09.075