2-phenylamino-4-(4'-fluorophenylamino)-6-chloro-s-triazine | 753494-70-1

• 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: 2-phenylamino-4-(4'-fluorophenylamino)-6-chloro-s-triazine
• 英文别名: 6-chloro-N-(4-fluorophenyl)-N'-phenyl-1,3,5-triazine-2,4-diamine；6-Chloro-N~2~-(4-fluorophenyl)-N~4~-phenyl-1,3,5-triazine-2,4-diamine；6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
• CAS: 753494-70-1
• 化学式: C₁₅H₁₁ClFN₅
• 分子量: 315.737
• InChiKey: AUEOSOVBMOMURL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 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：
  6

反应信息

• 作为反应物：
  描述：

  2-phenylamino-4-(4'-fluorophenylamino)-6-chloro-s-triazine 在 氢氧化钾 、 sodium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 6.0h， 生成 (E)-1-{4-[4-(4-Fluoro-phenylamino)-6-phenylamino-[1,3,5]triazin-2-ylamino]-phenyl}-3-(3-methoxy-phenyl)-propenone
  参考文献：
  名称：

  Solankee, Anjani; Thakor, Indrajit, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006, vol. 45, # 2, p. 517 - 522

  摘要：

  DOI：
• 作为产物：
  描述：

  苯胺 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium carbonate 作用下， 以 丙酮 为溶剂， 生成 2-phenylamino-4-(4'-fluorophenylamino)-6-chloro-s-triazine
  参考文献：
  名称：

  Solankee, Anjani; Thakor, Indrajit, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006, vol. 45, # 2, p. 517 - 522

  摘要：

  DOI：

文献信息

• 2,4,6-Triamino-1,3,5-triazine derivative
  申请人：Kubota Hideki

  公开号：US20060194803A1

  公开（公告）日：2006-08-31

  This invention relates to an anti-dementia agent which uses a BEC 1 potassium channel inhibitor as the active ingredient. It was proved that the BEC 1 potassium channel inhibitor has an action to improve learning disorder and is useful as a preventive or therapeutic agent for diseases, preferably dementia, in which the BEC 1 potassium channel is considered to be concerned. Illustratively, it was confirmed by an in vivo test that the BEC 1 potassium channel inhibitor has an action to improve learning disorder. Also, it was found that a compound having 2,4,6-triamino-1,3,5-triazine has a BEC 1 potassium channel inhibitory action.

  本发明涉及一种使用BEC 1钾通道抑制剂作为活性成分的抗痴呆剂。证明了BEC 1钾通道抑制剂具有改善学习障碍的作用，并且作为预防或治疗剂，特别是在BEC 1钾通道被认为与疾病，尤其是痴呆症有关的情况下具有用处。例如，通过体内试验证实了BEC 1钾通道抑制剂具有改善学习障碍的作用。此外，还发现一种具有2,4,6-三氨基-1,3,5-三嗪的化合物具有BEC 1钾通道抑制作用。
• 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.
• 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE
  申请人：Astellas Pharma Inc.

  公开号：EP1479397B1

  公开（公告）日：2011-06-08
• US7375222B2
  申请人：——

  公开号：US7375222B2

  公开（公告）日：2008-05-20