6-phenyl[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diol | 1027428-57-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-phenyl[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diol
• 英文别名: 6-Phenyl[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diol；7-hydroxy-6-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
• CAS: 1027428-57-4
• 化学式: C₁₁H₈N₄O₂
• mdl: MFCD26325677
• 分子量: 228.21
• InChiKey: LZTHNXKDWHRGNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-phenyl[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diol 在 三氯氧磷 作用下， 反应 6.0h， 生成 5,7-dichloro-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  FUSED BICYCLIC PYRIMIDINES

  摘要：

  式(I)的化合物及其互变异构体或立体异构体，或其盐，其中环B和与其融合的嘧啶，R4、R5、R6和R7的含义如描述和权利要求中所述，是Pi3K/Akt途径的有效抑制剂。

  公开号：

  US20090137607A1
• 作为产物：
  描述：

  3-氨基-1,2,4-三氮唑 、 苯基丙二酸二乙酯 在 乙醚 作用下， 以 三正丁胺 、 sodium hydroxide 为溶剂， 反应 0.5h， 生成 6-phenyl[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diol
  参考文献：
  名称：

  FUSED BICYCLIC PYRIMIDINES

  摘要：

  式(I)的化合物，其互变异构体或立体异构体，或其盐，其中环B和它所融合的嘧啶，R4，R5，R6和R7的含义如说明书和权利要求书所述，是有效的Pi3K/Akt通路抑制剂。

  公开号：

  US20100184782A1

文献信息

• FUSED BICYCLIC PYRIMIDINES
  申请人：Holder Swen

  公开号：US20090137607A1

  公开（公告）日：2009-05-28

  Compounds of formula (I) a tautomer or stereoisomer thereof, or a salt thereof, wherein ring B and the pyrimidine to which it is fused, R4, R5, R6 and R7 have the meanings as given in the description and the claims, are effective inhibitors of the Pi3K/Akt pathway.

  式(I)的化合物及其互变异构体或立体异构体，或其盐，其中环B和与其融合的嘧啶，R4、R5、R6和R7的含义如描述和权利要求中所述，是Pi3K/Akt途径的有效抑制剂。
• Method for Production of Substituted Phenylmalonate Esters, Novel Phenylmalonate Esters and Use Thereof
  申请人：Gotz Norbert

  公开号：US20080200675A1

  公开（公告）日：2008-08-21

  A process for preparing substituted phenylmalonic esters of the formula in which R is alkyl and Q is halogen, alkyl, alkoxy, haloalkyl or haloalkoxy and the index m is an integer from 1 to 5, where the groups Q can be identical or different if the index m is greater than 1, comprising steps A), B) and C): A) reaction of compounds of the formula II, in which the variables are as defined for formula I to give compounds of the formula III, B) conversion of the compounds of the formula III into ketals of the formula IV in which R′ is C 1 -C 4 -alkyl or benzyl, C) hydrolysis of the compounds of the formula IV to give compounds of the formula I; novel phenylmalonic ester derivatives, and their use as intermediates.

  一种制备公式中的取代苯丙二酸酯的方法其中R为烷基，Q为卤素，烷基，烷氧基，卤代烷基或卤代烷氧基，指数m为1到5的整数，其中如果指数m大于1，则基团Q可以相同或不同，包括步骤A），B）和C）：A）化合物II的反应，其中变量如公式I中所定义，得到化合物III的反应，B）将化合物III转化为公式IV的酮缩物，其中R′为C1-C4-烷基或苄基，C）水解化合物IV以得到公式I的化合物；新型苯丙二酸酯衍生物及其用作中间体。
• Method For Production of Substituted Phenylmalonate Esters, Intermediate Compounds and The Use Thereof for production of 5, 7-dihydroxy-6-(2,4,5-trifluorophenyl)-(1,2,4)triazolo(1,5-A)pyrimidines
  申请人：GOTZ Norbert

  公开号：US20090131708A1

  公开（公告）日：2009-05-21

  A process for preparing substituted phenylmalonic esters of the formula I in which R is alkyl and Q is halogen, alkyl, alkoxy, haloalkyl or haloalkoxy and the index m is an integer from 1 to 5 comprising steps A) and B): A) halogenation of compounds of the formula II, in which the variables are as defined for formula I, to give compounds of the formula III, B) hydrodechlorination of the compounds of the formula III to give substituted phenylmalonic esters of the formula I; novel phenylmalonic ester derivatives, and also their use as intermediates.

  一种制备公式I中R为烷基，Q为卤素、烷基、烷氧基、卤代烷基或卤代烷氧基，指数m为1至5的取代苯丙二酸酯的过程，包括步骤A和B：A）将公式II化合物卤化，其中变量如公式I所定义，以得到公式III化合物，B）将公式III化合物脱氯以得到公式I中的取代苯丙二酸酯；新颖的苯丙二酸酯衍生物，以及它们作为中间体的用途。
• 6-(Aminocarbonyl-phenyl)triazolopyrimidines, methods for the production thereof, use thereof for controlling harmful fungi, and substances containing the same
  申请人：Blasco Tormo i Jordi

  公开号：US20070111889A1

  公开（公告）日：2007-05-17

  Triazolopyrimidines of the formula I in which the substituents are as defined below: R 1 , R 2 are hydrogen, alkyl, haloalkyl, cycloalkyl, halocycloalkyl, alkenyl, haloalkenyl, cycloalkenyl, halocycloalkenyl, alkynyl, haloalkynyl or phenyl, naphthyl or a five- or six-membered saturated, partially unsaturated or aromatic heterocycle which contains one to four heteroatoms from the group consisting of O, N and S, R 1 and R 2 together with the nitrogen atom to which they are attached may also form a five- or six-membered heterocyclyl or heteroaryl which is attached via N and may contain a further heteroatom from the group consisting of O, N and S as ring member and may be substituted as defined in the description; L is halogen, cyano, alkyl, haloalkyl, alkoxy, alkenyloxy or alkoxycarbonyl; m is 1, 2, 3 or 4, where the groups L may be different if m is greater than 1; X is halogen, cyano, alkyl, haloalkyl, alkoxy or haloalkoxy; Processes and intermediates for preparing these compounds, compositions comprising them and their use for controlling phytopathogenic harmful fungi

  式I中，取代基的定义如下：R1、R2为氢、烷基、卤代烷基、环烷基、卤代环烷基、烯基、卤代烯基、环烯基、卤代环烯基、炔基、卤代炔基或苯基、萘基或含有1至4个来自O、N和S的杂原子的五元或六元饱和、部分不饱和或芳香族杂环。R1和R2连同它们所连接的氮原子也可以形成一个经由N连接的五元或六元杂环基或杂芳基，该杂环基或杂芳基可以作为环成员含有来自O、N和S的进一步杂原子，并且可以按照描述中的定义进行取代；L为卤素、氰基、烷基、卤代烷基、烷氧基、烯氧基或烷氧羰基；m为1、2、3或4，其中如果m大于1，则基团L可以不同；X为卤素、氰基、烷基、卤代烷基、烷氧基或卤代烷氧基。制备这些化合物的过程和中间体，包含它们的组合物以及它们用于控制植物病原真菌的用途。
• Inhibitors Of AKT Activity
  申请人：Chen Qi

  公开号：US20120077810A1

  公开（公告）日：2012-03-29

  The instant invention provides for substituted fused pyrimidine compounds that inhibit Akt activity. In particular, the compounds disclosed selectively inhibit one or two of the Akt isoforms. The invention also provides for compositions comprising such inhibitory compounds and methods of inhibiting Akt activity by administering the compound to a patient in need of treatment of cancer.

  本发明提供了一种取代的融合嘧啶化合物，可以抑制Akt活性。特别地，所披露的化合物选择性地抑制一种或两种Akt同工型。本发明还提供了包含这种抑制化合物的组合物以及通过向需要治疗癌症的患者施用该化合物来抑制Akt活性的方法。