2-(1-(6-methoxy-2-naphthyl)-9-methyl-9H-pyrido[3,4-b]-indol-3-yl)-2-propanol

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: 2-(1-(6-methoxy-2-naphthyl)-9-methyl-9H-pyrido[3,4-b]-indol-3-yl)-2-propanol
• 化学式: C₂₆H₂₄N₂O₂
• 分子量: 396.489
• InChiKey: BXBXSOCAIZGCRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.78
• 重原子数：
  30.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  47.28
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  6-甲氧基-2-萘甲醛 在 potassium carbonate 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 36.5h， 生成 2-(1-(6-methoxy-2-naphthyl)-9-methyl-9H-pyrido[3,4-b]-indol-3-yl)-2-propanol
  参考文献：
  名称：

  Syntheses of novel β-carboline derivatives and the activities against five tumor-cell lines

  摘要：

  A series of beta-carbolines possessing the aryl group at C-1 position has been synthesized from tryptophan. The newly synthesized compounds were screened for their in vitro anticancer activity against various human cancer cell lines by MTT assay. Some of them exhibited anticancer activity with IC50 values lower than 10 mu M outdistanced the cisplatin level. Structure-activity relationship reveals that the alcohol substituents at C-3 position played an important role in inhibition activity. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.11.076

文献信息

• Syntheses of novel β-carboline derivatives and the activities against five tumor-cell lines
  作者：Bing Bai、Xing-Yao Li、Li Liu、Yan Li、Hua-Jie Zhu

  DOI：10.1016/j.bmcl.2013.11.076

  日期：2014.1

  A series of beta-carbolines possessing the aryl group at C-1 position has been synthesized from tryptophan. The newly synthesized compounds were screened for their in vitro anticancer activity against various human cancer cell lines by MTT assay. Some of them exhibited anticancer activity with IC50 values lower than 10 mu M outdistanced the cisplatin level. Structure-activity relationship reveals that the alcohol substituents at C-3 position played an important role in inhibition activity. (C) 2013 Elsevier Ltd. All rights reserved.