5-溴-1,2,4-三唑-3-甲酸乙酯 | 774608-89-8

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 中文名称: 5-溴-1,2,4-三唑-3-甲酸乙酯
• 中文别名: 5-溴-1H-1,2,4-噻唑-3-羧酸乙酯；5-溴-1H-1,2,4-三唑-3-甲酸乙酯；5-溴-1H-1,2,4-三氮唑-3-甲酸乙酯
• 英文名称: ethyl 3- bromo-1H-1,2,4-triazole-5-carboxylate
• 英文别名: Ethyl 5-bromo-1H-1,2,4-triazole-3-carboxylate
• CAS: 774608-89-8
• 化学式: C₅H₆BrN₃O₂
• 分子量: 220.026
• InChiKey: IKUFDPUSUXPOAC-UHFFFAOYSA-N

物化性质

• 沸点：
  354.0±25.0 °C(Predicted)
• 密度：
  1.763±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  5-溴-1,2,4-三唑-3-甲酸乙酯 在 2-双环己基膦-2',6'-二甲氧基联苯 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 sodium hydride 、 caesium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 mineral oil 为溶剂， 反应 19.5h， 生成
  参考文献：
  名称：

  NOVEL COMPOUNDS FOR DIAGNOSIS

  摘要：

  The present invention relates to novel compounds of formula (I), or a detectably labelled compound, stereoisomer, racemic mixture, pharmaceutically acceptable salt, hydrate, or solvate thereof, that can be employed in the imaging of alpha-synuclein aggregates and determining an amount thereof. Furthermore, the compounds can be used for diagnosing a disease, disorder or abnormality associated with an alpha-synuclein aggregates (such as Parkinson's disease or such as multiple system atrophy (MSA)) determining a predisposition to such a disease, disorder or abnormality, prognosing such a disease, disorder or abnormality, monitoring the evolution of the disease in a patient suffering from such a disease, disorder or abnormality, monitoring the progression of such a disease, disorder or abnormality and predicting responsiveness of a patient suffering from such a disease, disorder or abnormality to a treatment thereof.

  公开号：

  WO2024126840A1

文献信息

• [EN] BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS<br/>[FR] INHIBITEURS DE LA DIHYDROOROTATE DÉSHYDROGÉNASE BI-ARYLE
  申请人：JANSSEN BIOTECH INC

  公开号：WO2021070132A1

  公开（公告）日：2021-04-15

  Disclosed are compounds, compositions and methods for treating diseases, disorders, or medical conditions that are affected by the modulation of DHODH. Such compounds are represented by Formula I as follows: Formula I wherein R1, R2, R3, and Q are defined herein.

  披露了用于治疗受DHODH调制影响的疾病、失调或医疗条件的化合物、组合物和方法。这些化合物由以下式I表示：式I其中R1、R2、R3和Q在此定义。
• [EN] DIHYDROOROTATE DEHYDROGENASE INHIBITORS<br/>[FR] INHIBITEURS DE LA DIHYDROOROTATE DÉSHYDROGÉNASE
  申请人：JANSSEN BIOTECH INC

  公开号：WO2022070068A1

  公开（公告）日：2022-04-07

  Disclosed are compounds, compositions and methods for treating diseases, disorders, or medical conditions that are affected by the modulation of DHODH. Such compounds are represented by Formula (I) as follows, wherein R1, R2, R3, R4, X, and Y are defined herein.

  揭示了用于治疗受DHODH调节影响的疾病、疾病或医疗状况的化合物、组合物和方法。这些化合物由以下式（I）所代表，其中R1、R2、R3、R4、X和Y在此处被定义。
• WO2007/582
  申请人：——

  公开号：——

  公开（公告）日：——