2-(5-bromopentylthio)-1H-anthra[1,2-d]imidazole-6,11-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 2-(5-bromopentylthio)-1H-anthra[1,2-d]imidazole-6,11-dione
• 英文别名: 2-(5-bromopentylsulfanyl)-3H-naphtho[3,2-e]benzimidazole-6,11-dione
• 化学式: C₂₀H₁₇BrN₂O₂S
• 分子量: 429.337
• InChiKey: DOPJRCDXVURKBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  88.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,2-二氨基蒽醌 在 三乙胺 、 potassium hydroxide 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 23.0h， 生成 2-(5-bromopentylthio)-1H-anthra[1,2-d]imidazole-6,11-dione
  参考文献：
  名称：

  Thio-subsituted Anthra [1, 2-d] imidazole- 6, 11-dione Dervatives, Preparation Method and application thereof

  摘要：

  一系列新颖的硫代取代的蒽[1,2-d]咪唑-6,11-二酮衍生物，以及所述衍生物的制备方法和应用，所述应用涉及含有治疗癌症的治疗有效量的所述衍生物的药物组合物，以及所述应用涉及所述衍生物对抑制端粒酶活性、抑制癌细胞生长、治疗癌症等方面的影响。

  公开号：

  US20110207727A1

文献信息

• Thio-subsituted Anthra [1, 2-d] imidazole- 6, 11-dione Dervatives, Preparation Method and application thereof
  申请人：HUANG Hsu-Shan

  公开号：US20110207727A1

  公开（公告）日：2011-08-25

  A series of novel thio-substituted anthra[1,2-d]imidazole-6,11-dione dervatives, and the preparation method and application of said derivatives, said application having a pharmaceutical composition containing said derivatives with therapeutically effective amount for treating cancer, and said application involves effects of said derivatives for inhibiting telomerase activity, inhibiting the growth of cancer cell, treating cancer and the like.

  一系列新颖的硫代取代的蒽[1,2-d]咪唑-6,11-二酮衍生物，以及所述衍生物的制备方法和应用，所述应用涉及含有治疗癌症的治疗有效量的所述衍生物的药物组合物，以及所述应用涉及所述衍生物对抑制端粒酶活性、抑制癌细胞生长、治疗癌症等方面的影响。
• US8067454B2
  申请人：——

  公开号：US8067454B2

  公开（公告）日：2011-11-29
• Structure-based design, synthesis and biological evaluation of novel anthra[1,2-d]imidazole-6,11-dione homologues as potential antitumor agents
  作者：Tsung-Chih Chen、Dah-Shyong Yu、Kuo-Feng Huang、Yung-Chien Fu、Chia-Chung Lee、Chun-Liang Chen、Fong-Chun Huang、Hsi-Hsien Hsieh、Jing-Jer Lin、Hsu-Shan Huang

  DOI：10.1016/j.ejmech.2013.06.058

  日期：2013.11

  By using fragment-based design strategies, a series of 2-thio-substituted anthra[1,2-dlimidazole-6,11-diones were synthesized and evaluated for hTERT repressing activities, cell proliferations, and NCI 60-cell panel assay. Compounds 2, 3, 4, 11, 15 and 35 were selected by the NCI and 3, 4, 11 and 15 represent the GI(50), TGI and LC50, respectively. Among them, all were moderate selectivity toward leukemia cancer except for 4 exhibited distinctive selectivity of CNS and renal cancer with 7.403 and 6.475. The overall of test compounds exhibited different cytostatic and cytotoxic activities for further developing potential application as anticancer drugs. Crown Copyright (C) 2013 Published by Elsevier Masson SAS. All rights reserved.