7-Camphanoylharman

• 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: 7-Camphanoylharman
• 英文别名: (1-methyl-9H-pyrido[3,4-b]indol-7-yl) (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
• 化学式: C₂₂H₂₂N₂O₄
• 分子量: 378.428
• InChiKey: SHFXXVQXMDMYSM-FCHUYYIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  81.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  哈尔酚 、 (1S)-(-)-莰烷酰氯 在 吡啶 、 4-二甲氨基吡啶 、 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以20%的产率得到7-Camphanoylharman
  参考文献：
  名称：

  Antitumor agents 201.1 Cytotoxicity of harmine and β-carboline analogs

  摘要：

  Twenty-six beta-carbolines were evaluated for in vitro cytotoxicity in a human tumor cell line panel. Harmine (3) showed significant activity against several cell lines including three drug-resistant KB sublines with various resistance mechanisms. alpha-(4-Nitrobenzylidine) harmine (16) had a broad cytotoxicity spectrum (ED50 values from 0.3-1.2 mu g/mL against 1A9, KB, SaOS-2, A549, SK-MEL-2, U-87-MG, and MCF-7 cells). (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00598-3

文献信息

• Antitumor agents 201.1 Cytotoxicity of harmine and β-carboline analogs
  作者：Junko Ishida、Hui-Kang Wang、Kenneth F. Bastow、Chang-Qi Hu、Kuo-Hsiung Lee

  DOI：10.1016/s0960-894x(99)00598-3

  日期：1999.12

  Twenty-six beta-carbolines were evaluated for in vitro cytotoxicity in a human tumor cell line panel. Harmine (3) showed significant activity against several cell lines including three drug-resistant KB sublines with various resistance mechanisms. alpha-(4-Nitrobenzylidine) harmine (16) had a broad cytotoxicity spectrum (ED50 values from 0.3-1.2 mu g/mL against 1A9, KB, SaOS-2, A549, SK-MEL-2, U-87-MG, and MCF-7 cells). (C) 1999 Published by Elsevier Science Ltd. All rights reserved.