ethyl 1-(3-benzoylthioureido)-1H-imidazole-2-carboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 1-(3-benzoylthioureido)-1H-imidazole-2-carboxylate
• 英文别名: ethyl 1-[(benzoylcarbamothioyl)amino]-1H-imidazole-2-carboxylate；Ethyl 1-(benzoylcarbamothioylamino)imidazole-2-carboxylate；ethyl 1-(benzoylcarbamothioylamino)imidazole-2-carboxylate
• 化学式: C₁₄H₁₄N₄O₃S
• 分子量: 318.356
• InChiKey: XJINRXZTTZRMTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 1-(3-benzoylthioureido)-1H-imidazole-2-carboxylate 生成 2-(methylthio)imidazo[2,1-f][1,2,4]triazin-4(3H)-one
  参考文献：
  名称：

  杂环化合物及其药物组合物、制备方法、中间体和应用

  摘要：

  本发明公开了一种杂环化合物及其药物组合物、制备方法、中间体和应用。该杂环化合物的结构如下式I所示，其具有CDK7抑制活性，可以用于治疗肿瘤等疾病。

  公开号：

  CN113004285A
• 作为产物：
  描述：

  咪唑-2-甲酸乙酯 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.17h， 生成 ethyl 1-(3-benzoylthioureido)-1H-imidazole-2-carboxylate
  参考文献：
  名称：

  [EN] BICYCLIC TRIAZINE DERIVATIVES FOR THE TREATMENT OF CANCER
  [FR] DÉRIVÉS DE TRIAZINE BICYCLIQUES POUR TRAITER LE CANCER

  摘要：

  The present invention provides compounds of general formula (I) in which A, B, X, Y, R1, R2and R3are as described and defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds, and the use of said compounds for manufacturing pharmaceutical compositions for the treatment and/or prophylaxis of diseases, in particular of hyperproliferative disorders such as cancer disorders, as a sole agent or in combination with other active ingredients.

  公开号：

  WO2023135057A1

文献信息

• 杂环化合物及其药物组合物、制备方法、中间体和应用
  申请人：苏州信诺维医药科技股份有限公司

  公开号：CN113004285A

  公开（公告）日：2021-06-22

  本发明公开了一种杂环化合物及其药物组合物、制备方法、中间体和应用。该杂环化合物的结构如下式I所示，其具有CDK7抑制活性，可以用于治疗肿瘤等疾病。
• [EN] QUINAZOLIN-4-ONE DERIVATIVES<br/>[FR] DÉRIVÉS DE QUINAZOLIN-4-ONE
  申请人：NOVARTIS AG

  公开号：WO2014128612A1

  公开（公告）日：2014-08-28

  The invention relates to quinazolin-4-one compounds of the formula (I) and/or pharmaceutically acceptable salts and/or solvates thereof, Formula (I) wherein R1, R2, R3, R5, R6 and L are as defined in the description. Such compounds are suitable for the treatment of a disorder or disease which is mediated by the activity of the class I PI3K kinases.

  该发明涉及式(I)的喹唑啉-4-酮化合物和/或其药用可接受的盐和/或溶剂，式(I)中R1、R2、R3、R5、R6和L的定义如描述中所述。这些化合物适用于治疗由I类PI3K激酶活性介导的疾病或疾病。
• [EN] BICYCLIC TRIAZINE DERIVATIVES FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE TRIAZINE BICYCLIQUES POUR TRAITER LE CANCER
  申请人：[en]DEUTSCHES KREBSFORSCHUNGSZENTRUM

  公开号：WO2023135057A1

  公开（公告）日：2023-07-20

  The present invention provides compounds of general formula (I) in which A, B, X, Y, R1, R2and R3are as described and defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds, and the use of said compounds for manufacturing pharmaceutical compositions for the treatment and/or prophylaxis of diseases, in particular of hyperproliferative disorders such as cancer disorders, as a sole agent or in combination with other active ingredients.