(1-(9-anthryl)-9H-pyridine[3,4-b]-indol-3-yl)methanol | 1448711-80-5

• 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: (1-(9-anthryl)-9H-pyridine[3,4-b]-indol-3-yl)methanol
• 英文别名: (1-anthracen-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
• CAS: 1448711-80-5
• 化学式: C₂₆H₁₈N₂O
• 分子量: 374.442
• InChiKey: ZWNXYQDNMDXLER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  48.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (1-(9-anthryl)-9H-pyridine[3,4-b]-indol-3-yl)methanol 、 乙酸酐 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  β-咔啉衍生物或可药用盐，其制备方法及其抗 肿瘤的应用

  摘要：

  本发明公开了一种具有抗肿瘤活性的通式（Ⅰ）结构的β-咔啉衍生物或可药用盐，其中R、R1、R2如说明书中所定义。

  公开号：

  CN103214486B
• 作为产物：
  描述：

  Methyl (3S)-1-anthracen-9-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate 在 lithium aluminium tetrahydride 、 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 为溶剂， 反应 1.5h， 生成 (1-(9-anthryl)-9H-pyridine[3,4-b]-indol-3-yl)methanol
  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

• β-咔啉衍生物或可药用盐，其制备方法及其抗 肿瘤的应用
  申请人：河北大学

  公开号：CN103214486B

  公开（公告）日：2016-05-11

  本发明公开了一种具有抗肿瘤活性的通式（Ⅰ）结构的β-咔啉衍生物或可药用盐，其中R、R1、R2如说明书中所定义。
• 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.