UP86PY74XS | 1781211-90-2

• 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: UP86PY74XS
• 英文别名: 5-(2-methylphenyl)-2H-1,2,4-triazin-3-one
• CAS: 1781211-90-2
• 化学式: C₁₀H₉N₃O
• 分子量: 187.2
• InChiKey: AAXYLWMWTYKLIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  53.8
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• New 1,2,4-triazine derivatives and biological applications thereof
  申请人：Mutabilis

  公开号：EP2141164A1

  公开（公告）日：2010-01-06

  The invention relates to new 1,2,4-triazine derivatives of formula (I): wherein A, B, R2 and Y are defined in the application, their preparation and intermediates, their use as drugs and pharmaceutical compositions and associations containing them. The compounds of formula (I) are capable of inhibiting bacterial heptose synthesis.

  这项发明涉及公式(I)的新1,2,4-三嗪衍生物： 其中A、B、R2和Y在申请中有定义， 它们的制备和中间体，它们作为药物和药物组合物的用途以及含有它们的关联物。 公式(I)的化合物能够抑制细菌七糖合成。
• Method for producing triazine compound
  申请人：MITSUBISHI TANABE PHARMA CORPORATION

  公开号：US11339135B2

  公开（公告）日：2022-05-24

  The present invention provides an industrially advantageous method for producing a 3,5-disubstituted triazine compound that is useful as an active pharmaceutical ingredient. More specifically, the present invention provides a production method, whereby it becomes possible to efficiently produce a 3-oxo-5-substituted triazine in water without the need to isolate an intermediate that may have mutagenicity, and it also becomes possible to perform the production without the need to isolate a product in each of multiple steps. Namely, the present invention provides a method for producing a compound represented by formula I or a salt thereof, the method including a step of reacting a compound represented by the following formula IV or a salt thereof with a base in water, and optionally including a step of forming a salt thereof. Specifically, the present invention provides a method for producing a compound represented by formula I or a salt thereof, the method including a step of derivatizing a compound represented by formula II or a salt thereof into a corresponding compound represented by formula III, a salt thereof, or a derivative thereof, then a step of reacting the resulting compound, a salt thereof, or a derivative thereof with aminourea or a salt thereof in water to produce a compound represented by formula IV or a salt thereof, and then a step of reacting the resulting compound or a salt thereof in the presence of a base. (wherein ring A represents an optionally substituted aryl group or an optionally substituted heteroaryl group)

  本发明提供了一种生产可用作活性药物成分的 3,5-二取代三嗪化合物的具有工业优势的方法。更具体地说，本发明提供了一种生产方法，据此可以在水中有效地生产 3-氧代-5-取代三嗪，而无需分离出可能具有致突变性的中间体，也无需在多个步骤中的每个步骤中分离出产物即可进行生产。即，本发明提供了一种生产式 I 所代表的化合物或其盐的方法，该方法包括将下式 IV 所代表的化合物或其盐与碱在水中反应的步骤，并可选包括形成其盐的步骤。具体地说，本发明提供了一种生产式 I 所代表的化合物或其盐的方法，该方法包括将式 II 所代表的化合物或其盐衍生成相应的式 III 所代表的化合物、其盐或其衍生物的步骤，然后将所得化合物、其盐或其衍生物与氨基脲或其盐在水中反应生成式 IV 所代表的化合物或其盐的步骤，再将所得化合物或其盐在碱存在下反应的步骤。 (其中环 A 代表任选取代的芳基或任选取代的杂芳基）。
• METHOD FOR PRODUCING TRIAZINE COMPOUND
  申请人：MITSUBISHI TANABE PHARMA CORPORATION

  公开号：US20210380541A1

  公开（公告）日：2021-12-09

  The present invention provides an industrially advantageous method for producing a 3,5-disubstituted triazine compound that is useful as an active pharmaceutical ingredient. More specifically, the present invention provides a production method, whereby it becomes possible to efficiently produce a 3-oxo-5-substituted triazine in water without the need to isolate an intermediate that may have mutagenicity, and it also becomes possible to perform the production without the need to isolate a product in each of multiple steps. Namely, the present invention provides a method for producing a compound represented by formula I or a salt thereof, the method including a step of reacting a compound represented by the following formula IV or a salt thereof with a base in water, and optionally including a step of forming a salt thereof. Specifically, the present invention provides a method for producing a compound represented by formula I or a salt thereof, the method including a step of derivatizing a compound represented by formula II or a salt thereof into a corresponding compound represented by formula III, a salt thereof, or a derivative thereof, then a step of reacting the resulting compound, a salt thereof, or a derivative thereof with aminourea or a salt thereof in water to produce a compound represented by formula IV or a salt thereof, and then a step of reacting the resulting compound or a salt thereof in the presence of a base. (wherein ring A represents an optionally substitued aryl group or an optionally substituted heteroaryl group)
• [EN] NEW 1,2,4-TRIAZINE DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF<br/>[FR] NOUVEAUX DÉRIVÉS DE 1,2,4-TRIAZINE ET LEURS APPLICATIONS BIOLOGIQUES
  申请人：MUTABILIS SA

  公开号：WO2010001220A1

  公开（公告）日：2010-01-07

  The invention relates to new 1,2,4-triazine derivatives of formula (I): wherein A, B, R2 and Y are defined in the application, their preparation and intermediates, their use as drugs and pharmaceutical compositions and associations containing them. The compounds of formula (I) are capable of inhibiting bacterial heptose synthesis.