1-(4-methylbenzamido)-2-[2-(dimethylamino)acetylamido]anthraquinone | 1329002-06-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1-(4-methylbenzamido)-2-[2-(dimethylamino)acetylamido]anthraquinone
• 英文别名: 1-(4-methylbenzamido)-2-[2-(dimethylamino)acetylamino]anthraquinone；N-[2-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-4-methylbenzamide
• CAS: 1329002-06-3
• 化学式: C₂₆H₂₃N₃O₄
• 分子量: 441.486
• InChiKey: RRAORDVCLZAVDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  95.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,2-二氨基蒽醌 在 吡啶 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 21.0h， 生成 1-(4-methylbenzamido)-2-[2-(dimethylamino)acetylamido]anthraquinone
  参考文献：
  名称：

  Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof

  摘要：

  一系列新颖的1,2-二取代氨基蒽醌衍生物，以及所述衍生物的制备方法和应用。所述应用包括将所述衍生物与治疗有效量配制成药物组合物，用于抑制癌细胞生长，进一步治疗癌症。

  公开号：

  US20110207739A1

文献信息

• 1, 2-disubstituted amido-anthraquinone derivatives, preparation method and application thereof
  申请人：National Defense Medical Center

  公开号：US08304415B2

  公开（公告）日：2012-11-06

  A series of novel 1,2-disubstituted amido-anthraquinone derivatives, and the preparation method and application of said derivatives. Said application includes said derivatives with therapeutically effective amount being prepared into pharmaceutical compositions for inhibition of cancer cell growth, further treating cancer.

  一系列新型1,2-二取代酰胺基蒽醌衍生物以及其制备方法和应用。该应用包括将该衍生物制备成药物组合物，其含有治疗有效量，用于抑制癌细胞生长，进一步治疗癌症。
• Synthesis, antiproliferative activities and telomerase inhibition evaluation of novel asymmetrical 1,2-disubstituted amidoanthraquinone derivatives
  作者：Chia-Chung Lee、Kuo-Feng Huang、Pen-Yuan Lin、Fong-Chun Huang、Chun-Liang Chen、Tsung-Chih Chen、Jih-Hwa Guh、Jing-Jer Lin、Hsu-Shan Huang

  DOI：10.1016/j.ejmech.2011.10.059

  日期：2012.1

  A series of diversely asymmetrical mono- or disubstituted 1,2-diamidoanthraquinone derivatives were synthesized and evaluated for drug-induced cytotoxicity by SRB assay, telomerase inhibitory activity by TRAP assay, and hTERT expression by SEAP assay. Interestingly, compounds 4, 11, 21, 32 and 36 exhibited selective potent antiproliferative activities by NCI with IC50 values in the micromolar range. Of these, only compound 8 showed an IC50 value of 0.95 mu M against PC-3 cell lines (human prostate cancer) by SRB assay. All the synthesized compounds exhibited a poor or modest telomerase inhibitory activity by TRAP assay suggesting another mode of action for these compounds. Compound 11 showed broad inhibition against different types of cancer cell lines in the micromolar and submicromolar range. Crown Copyright (C) 2011 Published by Elsevier Masson SAS. All rights reserved.
• US8304415B2
  申请人：——

  公开号：US8304415B2

  公开（公告）日：2012-11-06
• US8530465B2
  申请人：——

  公开号：US8530465B2

  公开（公告）日：2013-09-10