2,4-dichloro-6-(4-(methylthio)-anilino)-s-triazine | 146887-19-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,4-dichloro-6-(4-(methylthio)-anilino)-s-triazine
• 英文别名: 4,6-dichloro-N-(4-methylsulfanylphenyl)-1,3,5-triazin-2-amine
• CAS: 146887-19-6
• 化学式: C₁₀H₈Cl₂N₄S
• 分子量: 287.172
• InChiKey: MPFDHDPHZUMUOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  76
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,4-dichloro-6-(4-(methylthio)-anilino)-s-triazine 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 8.0h， 生成 2-N-(3,4-dimethoxyphenyl)-4-N-(4-methylsulfanylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  Synthesis and antitumor evaluation of a novel series of triaminotriazine derivatives

  摘要：

  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.

  DOI：

  10.1016/j.bmc.2006.11.028
• 作为产物：
  描述：

  三聚氯氰 、 4-氨基茴香硫醚 在 sodium carbonate 作用下， 以 丙酮 为溶剂， 生成 2,4-dichloro-6-(4-(methylthio)-anilino)-s-triazine
  参考文献：
  名称：

  Synthesis and antitumor evaluation of a novel series of triaminotriazine derivatives

  摘要：

  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.

  DOI：

  10.1016/j.bmc.2006.11.028

文献信息

• DEFAUNATION METHOD
  申请人：MALLINCKRODT VETERINARY LIMITED

  公开号：EP0661976A1

  公开（公告）日：1995-07-12
• EP0661976A4
  申请人：——

  公开号：EP0661976A4

  公开（公告）日：1994-07-20
• US5561131A
  申请人：——

  公开号：US5561131A

  公开（公告）日：1996-10-01
• [EN] DEFAUNATION METHOD
  申请人：PITMAN-MOORE AUSTRALIA LIMITED

  公开号：WO1993002680A1

  公开（公告）日：1993-02-18

  (EN) The use of triazine compounds of formula (I) for the preparation of a medicament for use in a method for defaunation of ruminant animals, in which an effective amount of the compound is administered to the animals. Defaunation is the selective removal of protozoa from the rumen in preference to removal or deactivation of bacteria. In formula (I): x = 1 or 2, R = H or lower alkyl, Ar = phenyl, diphenyl, naphthyl, anthracyl or phenanthryl radicals and substituted derivatives thereof.(FR) Utilisation de composés de triazine de la formule (I) pour la préparation d'un médicament utilisé dans un procédé de défaunation de ruminants, selon lequel une quantité efficace du composé est administrée aux animaux. La défaunation consiste à enlever de préférence sélectivement des protozoaires de la panse au lieu d'enlever ou de désactiver des bactéries. Dans la formule (I) x = 1 ou 2, R = H ou alkyle inférieur, Ar = radicaux de phényle, diphényle, naphtyle, anthracyle ou phénanthryle et dérivés substitués de ces radicaux.
• 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.