(13S)-11-(4-methoxyphenyl)-13-methyl-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one | 1579998-01-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑二氮卓类
• 英文名称: (13S)-11-(4-methoxyphenyl)-13-methyl-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
• CAS: 1579998-01-8
• 化学式: C₁₈H₁₆N₄O₂
• 分子量: 320.351
• InChiKey: JZXXGBUIXGGYCS-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  咪唑并[1,2-a]吡啶-2-胺 在 盐酸 、 碘 、 lead(IV) tetraacetate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 、 氯仿 、 水 为溶剂， 反应 7.0h， 生成 (13S)-11-(4-methoxyphenyl)-13-methyl-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
  参考文献：
  名称：

  Imidazopyridine-fused [1,3]-diazepinones: Synthesis and antiproliferative activity

  摘要：

  A series of 15 pyrido-imidazo-1,3-diazepin-5-ones and pyrido-1,3-diazepine-2,5-diones were synthesized and their anticancer activities were evaluated. Among tested compounds on a cell lines panel, compound 6a presents the best growth inhibition activity on 21 cell lines with a cytotoxic effect on MDA-MB-435 melanoma cells. This compound led to deep cell morphological changes and revealed to be an inhibitor of the Hepatocyte progenitor kinase-like kinase (HGK), which is known to be implicated in the migration, adhesion and invasion of various tumor cells. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.01.044

文献信息

• Imidazopyridine-fused [1,3]-diazepinones: Synthesis and antiproliferative activity
  作者：Audrey Gallud、Ophélie Vaillant、Ludovic T. Maillard、Dominique P. Arama、Joëlle Dubois、Marie Maynadier、Vincent Lisowski、Marcel Garcia、Jean Martinez、Nicolas Masurier

  DOI：10.1016/j.ejmech.2014.01.044

  日期：2014.3

  A series of 15 pyrido-imidazo-1,3-diazepin-5-ones and pyrido-1,3-diazepine-2,5-diones were synthesized and their anticancer activities were evaluated. Among tested compounds on a cell lines panel, compound 6a presents the best growth inhibition activity on 21 cell lines with a cytotoxic effect on MDA-MB-435 melanoma cells. This compound led to deep cell morphological changes and revealed to be an inhibitor of the Hepatocyte progenitor kinase-like kinase (HGK), which is known to be implicated in the migration, adhesion and invasion of various tumor cells. (C) 2014 Elsevier Masson SAS. All rights reserved.