6-chloro-N-(4-chlorophenyl)-N'-phenyl-1,3,5-triazine-2,4-diamine | 100961-15-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 6-chloro-N-(4-chlorophenyl)-N'-phenyl-1,3,5-triazine-2,4-diamine
• 英文别名: 2-Anilino-4-chlor-6-<4-chlor-anilino>-s-triazin；6-Chloro-N-(4-chloro-phenyl)-N'-phenyl-[1,3,5]triazine-2,4-diamine；6-chloro-2-N-(4-chlorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
• CAS: 100961-15-7
• 化学式: C₁₅H₁₁Cl₂N₅
• 分子量: 332.192
• InChiKey: YQOJJUNVCIZYMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(2-氨基乙基)吗啉 、 6-chloro-N-(4-chlorophenyl)-N'-phenyl-1,3,5-triazine-2,4-diamine 以 丙酮 为溶剂， 生成 N-(4-Chloro-phenyl)-N'-(2-morpholin-4-yl-ethyl)-N''-phenyl-[1,3,5]triazine-2,4,6-triamine
  参考文献：
  名称：

  Triaminotriazine DNA helicase inhibitors with antibacterial activity

  摘要：

  Screening of a chemical library in a DNA helicase assay involving the Pseudomonas aeruginosa DnaB helicase provided a triaminotriazine inhibitor with good antibacterial activity but associated cytotoxicity toward mammalian cells. Synthesis of analogs provided a few inhibitors that retained antibacterial activity and demonstrated a significant reduction in cytotoxicity. The impact of serum and initial investigations toward a mode of action highlight several features of this class of compounds as antibacterials. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.076
• 作为产物：
  描述：

  4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-amine 在 potassium carbonate 、 苯胺 作用下， 以 乙酸乙酯 、 甲苯 为溶剂， 以46%的产率得到6-chloro-N-(4-chlorophenyl)-N'-phenyl-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  LPAAT-B inhibitors and uses thereof

  摘要：

  该发明涉及三嗪类化合物及其用于抑制溶磷脂酸酰基转移酶β（LPAAT-β）活性的用途。该发明还涉及使用这些三嗪类化合物治疗癌症的方法。该发明还涉及筛选LPAAT-β活性的方法。

  公开号：

  US20020103195A1

文献信息

• LPAAT-beta inhibitors and uses thereof
  申请人：Cell Therapeutics, Inc.

  公开号：US20030100557A1

  公开（公告）日：2003-05-29

  The invention relates to triazines and the use thereof to inhibit lysophosphatidic acid acyltransferase &bgr; (LPAAT-&bgr;) activity. The invention further relates to methods of treating cancer using said triazines. The invention also relates to methods for screening for LPAAT-&bgr; activity.

  本发明涉及三嗪类化合物及其用于抑制溶血磷脂酸酰转移酶β（LPAAT-β）活性的用途。本发明还涉及使用所述三嗪类化合物治疗癌症的方法。本发明还涉及筛选LPAAT-β活性的方法。
• LPAAT-β inhibitors and uses thereof
  申请人：Cell Therapuetics, Inc.

  公开号：US07199238B2

  公开（公告）日：2007-04-03

  The invention relates to triazines and the use thereof to inhibit lysophosphatidic acid acyltransferase β (LPAAT-β) activity. The invention further relates to methods of treating cancer using said triazines. The invention also relates to methods for screening for LPAAT-β activity.

  本发明涉及三嗪类化合物及其用于抑制溶血磷脂酸酰转移酶β（LPAAT-β）活性的应用。本发明还涉及使用该三嗪类化合物治疗癌症的方法。本发明还涉及筛选LPAAT-β活性的方法。
• LPAAT-BETA INHIBITORS AND USES THEREOF
  申请人：BONHAM Lynn

  公开号：US20100189726A1

  公开（公告）日：2010-07-29

  The invention relates to triazines and the use thereof to inhibit lysophosphatidic acid acyltransferase β (LPAAT-β) activity. The invention further relates to methods of treating cancer using said triazines. The invention also relates to methods for screening for LPAAT-β activity.

  该发明涉及三嗪及其用于抑制溶血磷脂酸酰转移酶β（LPAAT-β）活性的用途。该发明还涉及使用该三嗪治疗癌症的方法。该发明还涉及筛选LPAAT-β活性的方法。
• Synthesis and antitumor evaluation of a novel series of triaminotriazine derivatives
  作者：Mingfang Zheng、Chenghui Xu、Jianwei Ma、Yan Sun、Feifei Du、Hong Liu、Liping Lin、Chuan Li、Jian Ding、Kaixian Chen、Hualiang Jiang

  DOI：10.1016/j.bmc.2006.11.028

  日期：2007.2

  A series of triaminotriazine derivatives (compounds 5a-f, 6a-x, and 7a-g) was designed, synthesized, and evaluated for their inhibition activities to colorectal cancer (CRC) cell lines (HCT-116 and HT-29). Most of the synthesized compounds demonstrated moderate anti-proliferatory effects on both HCT-116 and HT-29 cell lines at the concentration of 10 mu M. The inhibitory activities against HCT-116 and HT-29 cell lines were discussed to develop the structure-activity relationships of this new series. Compounds 61 and 6o exhibited prominent inhibition activities toward HCT-116, with IC50S of 0.76 and 0.92 mu M, respectively. The in vivo antitumor studies and pharmacokinctics of compound 61 showed that it might be a promising new hit for further development of antitumor agents. (c) 2006 Elsevier Ltd. All rights reserved.
• Solankee, Anjani; Kapadia, Kishor; Solankee, Sejal, Journal of the Indian Chemical Society, 2009, vol. 86, # 8, p. 837 - 840
  作者：Solankee, Anjani、Kapadia, Kishor、Solankee, Sejal、Patel, Ghanshyam

  DOI：——

  日期：——