6-phenyl-1,2,4-triazin-3-one | 23448-86-4

• 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-phenyl-1,2,4-triazin-3-one
• 英文别名: 6-Phenyl-1,2,4-triazin-3(2H)-one；6-phenyl-2H-1,2,4-triazin-3-one
• CAS: 23448-86-4
• 化学式: C₉H₇N₃O
• mdl: MFCD11557182
• 分子量: 173.174
• InChiKey: FVUIKOKQEZSEGP-UHFFFAOYSA-N

物化性质

• 熔点：
  218-222 °C
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-phenyl-1,2,4-triazin-3-one 在 N,N-二甲基甲酰胺 三氯氧磷 、 sodium hydroxide 作用下， 以 氯仿 、 二氯甲烷 、 水 为溶剂， 以81.1%的产率得到3-氯-6-苯基-1,2,4-三嗪
  参考文献：
  名称：

  TRIAZOLOTRIAZINES AS KINASE INHIBITORS

  摘要：

  本发明涉及[1,2,4]三唑并[4,3-b][1,2,4]三嗪，以及其药物组合物，这些化合物是c-Met等激酶的抑制剂，可用于治疗癌症和其他与激酶通路失调相关的疾病。

  公开号：

  US20080039457A1
• 作为产物：
  描述：

  3-氨基-6-苯基-1,2,4-三嗪 生成 6-phenyl-1,2,4-triazin-3-one
  参考文献：
  名称：

  Ekeley et al., Recueil des Travaux Chimiques des Pays-Bas, 1940, vol. 59, p. 496,498

  摘要：

  DOI：

文献信息

• Asymmetric induction in the reactions of azinones with C-nucleophiles
  作者：O. N. Chupakhin、I. N. Egorov、V. L. Rusinov、P. A. Slepukhin

  DOI：10.1007/s11172-010-0195-z

  日期：2010.5

  acylating agents on the course of addition of C-nucleophiles to 1,2,4- and 1,3,5-triazinones, as well as to quinoxalin-2(1H)-one, was studied. A series of new azinone derivatives was obtained. A method for the preparation of diastereomerically pure addition products of indoles to 1,2,4-triazinones and quinoxalin-2(1H)-one in the presence of N-Ts-L-amino acid acyl chlorides was suggested.

  研究了酰化剂对 C-亲核试剂添加到 1,2,4-和 1,3,5-三嗪酮以及喹喔啉-2(1H)-one 过程中的影响。获得了一系列新的吖嗪酮衍生物。提出了一种在 N-Ts-L-氨基酸酰氯存在下制备吲哚到 1,2,4-三嗪酮和喹喔啉-2(1H)-one 的非对映异构纯加成产物的方法。
• Methods of treating conditions associated with an EDG-4 receptor
  申请人：Solow-Cordero David

  公开号：US20050113283A1

  公开（公告）日：2005-05-26

  The present invention provides a method of modulating an Edg-4 receptor mediated biological activity in a cell. A cell expressing the Edg-4 receptor is contacted with a modulator of an Edg-4 receptor sufficient to modulate the Edg-4 receptor mediated biological activity. In another aspect, the present invention provides a method for modulating an Edg-4 receptor mediated biological activity in a subject. A therapeutically effective amount of a modulator of the Edg-4 receptor is administered to the subject.

  本发明提供了一种调节细胞中Edg-4受体介导的生物活性的方法。将表达Edg-4受体的细胞与足以调节Edg-4受体介导的生物活性的调节剂接触。在另一个方面，本发明提供了一种调节受体Edg-4介导的生物活性的方法。向受体施用治疗有效量的Edg-4受体调节剂。
• Transition-Metal-Free Cross-Dehydrogenative Coupling of Triazines with 5,7-Dihydroxycoumarins
  作者：Igor Khalymbadzha、Oleg Chupakhin、Ramil Fatykhov、Valery Charushin、Alexander Schepochkin、Victor Kartsev

  DOI：10.1055/s-0035-1562794

  日期：——

  A new method for the direct metal-free C–H functionalization of electron-deficient triazines with fragments of naturally occurring and synthetic 5,7-dihydroxycoumarins is reported. It has been found that the reaction of 5,7-dihydroxycoumarins with triazines proceeds under mild conditions, showing a high chemo- and regioselectivity.

  报道了一种用天然和合成的 5,7-二羟基香豆素片段直接对缺电子三嗪进行无金属 C-H 官能化的新方法。已发现 5,7-二羟基香豆素与三嗪的反应在温和条件下进行，显示出高化学和区域选择性。
• Triazolotriazines as kinase inhibitors
  申请人：Incyte Corporation

  公开号：US07915408B2

  公开（公告）日：2011-03-29

  The present invention is directed to [1,2,4]triazolo[4,3-b][1,2,4]triazines, and pharmaceutical compositions thereof, which are inhibitors of kinases such as c-Met and are useful in the treatment of cancer and other diseases related to the dysregulation of kinase pathways.

  本发明涉及[1,2,4]三唑[4,3-b][1,2,4]三嗪以及其制药组合物，其为c-Met酪氨酸激酶抑制剂，可用于治疗癌症和其他与激酶通路失调相关的疾病。
• Tuning the Annulation Reactivity of Vinyl Azides and Carbazates: A Divergent Synthesis of Aza-pyrimidinones and Imidazoles
  作者：Jiaan Shao、Xingyu Liu、Ke Shu、Pai Tang、Jing Luo、Wenteng Chen、Yongping Yu

  DOI：10.1021/acs.orglett.5b02180

  日期：2015.9.18

  A divergent cascade annulation has been developed using readily available vinyl azides and carbazates with a wide range of substituents. Vinyl azides were successfully applied as bifunctional partners to prepare aza-pyrimidinones via 6-ring closure with carbazates as well as to construct polyfunctionalized imidazoles via 5-ring closure with N-substituted carbazates. The aza-heterocycles were obtained with high levels of chemoselectivity and excellent yields.