3-(2-methoxyphenyl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(2-methoxyphenyl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
• 化学式: C₁₈H₁₆N₄OS
• mdl: MFCD13967854
• 分子量: 336.417
• InChiKey: AAJGWNXGGNOEAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  77.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(2-methoxyphenyl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 在 sodium tetrahydroborate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以62%的产率得到5,6-dihydro-3-(2-methoxyphenyl)-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
  参考文献：
  名称：

  WO2008/11045

  摘要：

  公开号：

文献信息

• 3-Aryl-6-aryl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and analogs as activators of caspases and inducers of apoptosis and the use thereof
  申请人：Cai Xiong Sui

  公开号：US20080045514A1

  公开（公告）日：2008-02-21

  Disclosed are 3-aryl-6-aryl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and analogs thereof, represented by the Formula I: wherein Ar 1 , Q 2 , R 1 , R 2 , dashed line and X are defined herein. The present invention relates to the discovery that compounds having Formula I are activators of caspases and inducers of apoptosis. Therefore, the activators of caspases and inducers of apoptosis of this invention may be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明涉及一种由公式I表示的3-芳基-6-芳基-7H-[1,2,4]三唑并[3,4-b][1,3,4]噻二嗪及其类似物，其中Ar1，Q2，R1，R2，虚线和X的定义如下。本发明发现具有公式I的化合物是caspases的激活剂和凋亡诱导剂。因此，本发明的caspases激活剂和凋亡诱导剂可用于诱导在各种临床病况中出现的异常细胞的无控制增长和扩散的细胞死亡。
• 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-b][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF
  申请人：Cytovia, Inc.

  公开号：EP2046336A2

  公开（公告）日：2009-04-15
• [EN] 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-b][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF<br/>[FR] 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-b][1,3,4]THIADIAZINES ET ANALOGUES CONSTITUANT DES ACTIVATEURS DE CASPASES ET DES INDUCTEURS D'APOPTOSE ET UTILISATION DE CES COMPOSÉS
  申请人：CYTOVIA INC

  公开号：WO2008011045A2

  公开（公告）日：2008-01-24

  [EN] Disclosed are 3-aryl-6-aryl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and analogs thereof, represented by the Formula (I), wherein Ar₁, Q₂, R₁, R₂, dashed line and X are defined herein. The present invention relates to the discovery that compounds having Formula (I) are activators of caspases and inducers of apoptosis. Therefore, the activators of caspases and inducers of apoptosis of this invention may be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.
  [FR] L'invention concerne des 3-aryl-6-aryl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines et des analogues de ces composés, représentés par la formule (I), dans laquelle Ar₁, Q₂, R₁, R₂, le trait discontinu et X sont tels que définis dans la description. La présente invention porte sur la découverte que ces composés de formule (I) sont des activateurs de caspases et des inducteurs d'apoptose. Les activateurs de caspases et inducteurs d'apoptose selon l'invention peuvent ainsi être utilisés pour induire la mort cellulaire dans divers états cliniques caractérisés par une croissance et une prolifération incontrôlées de cellules anormales.
• [EN] COMPOUNDS AND METHODS OF INDUCING APOPTOSIS VIA INTERACTION WITH CHAPERONIN CCT<br/>[FR] COMPOSÉS ET PROCÉDÉS D'INDUCTION DE L'APOPTOSE PAR INTERACTION AVEC LA CHAPERONINE CCT
  申请人：CYTOVIA INC

  公开号：WO2010008558A1

  公开（公告）日：2010-01-21

  The present invention pertains to a method of treating, preventing or ameliorating a disease responsive to induction of the caspase cascade in an animal, comprising administering to the animal a compound which binds to CCT. The present invention also relates to screening methods useful for drug discovery of apoptosis inducing compounds. In particular, the screening methodology relates to using CCT as a target for the discovery of apoptosis activators useful as anticancer agents. The screening methods of the present invention can employ homogenous or heterogenous binding assays using purified or partially purified CCT; or whole cell assays using cells with altered levels of CCT. The invention also contemplates use of 6-aryl-3-aryl-7H- [1,2,4]triazolo[3,4-&][1,3,4]thiadiazine or derivative which bind CCT and can accordingly be used to raise antibodies useful for drug discovery. Alternatively, labeled 6-aryl-3-aryl-7H-[1,2,4]triazolo[3,4-&][1,3,4]thiadiazine or derivative is used for competitive binding assays for drug discovery. Such assays afford high throughput screening of chemical libraries for apoptosis activators.