2,3,4,4a,9,13c-hexahydro-7-isopropyl-1,4a-dimethyl-9-(2-(p-tolylamino)ethyl)-1H-dibenzo[a,c]carbazole-1-carboxylic acid methyl ester | 1529761-66-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 2,3,4,4a,9,13c-hexahydro-7-isopropyl-1,4a-dimethyl-9-(2-(p-tolylamino)ethyl)-1H-dibenzo[a,c]carbazole-1-carboxylic acid methyl ester
• 英文别名: methyl (8S,12R,13S)-8,12-dimethyl-21-[2-(4-methylanilino)ethyl]-4-propan-2-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,15,17,19-heptaene-12-carboxylate
• CAS: 1529761-66-7
• 化学式: C₃₆H₄₂N₂O₂
• 分子量: 534.742
• InChiKey: UHFJDUGHFXYKSV-ICMREOOQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  43.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  dehydroabietic acid chloride 在 chromium(VI) oxide 、 盐酸 、 四丁基溴化铵 、 乙酸酐 、 potassium carbonate 、 溶剂黄146 、 potassium iodide 、 sodium hydroxide 作用下， 以 乙醇 、 水 、 乙腈 、 苯 为溶剂， 反应 29.0h， 生成 2,3,4,4a,9,13c-hexahydro-7-isopropyl-1,4a-dimethyl-9-(2-(p-tolylamino)ethyl)-1H-dibenzo[a,c]carbazole-1-carboxylic acid methyl ester
  参考文献：
  名称：

  Synthesis and biological evaluation of novel N-substituted 1H-dibenzo[a,c]carbazole derivatives of dehydroabietic acid as potential antimicrobial agents

  摘要：

  A series of new N-substituted 1H-dibenzo[a,c]carbazole derivatives were synthesized from dehydroabietic acid, and their structures were characterized by IR, H-1 NMR and HRMS spectral data. All compounds were evaluated for their antibacterial and antifungal activities against four bacteria (Bacillus subtilis, Staphylococcus aureus, Escherichia coli and Pseudomonas fluorescens) and three fungi (Candida albicans, Candida tropicalis and Aspergillus niger) by serial dilution technique. Some of the synthesized compounds displayed pronounced antimicrobial activity against tested strains with low MIC values ranging from 0.9 to 15.6 mu g/ml. Among them, compounds 6j and 6r exhibited potent inhibitory activity comparable to reference drugs amikacin and ketoconazole. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.11.009