(E)-4-(2-(4-diazo-4H-imidazol-5-yl)vinyl)benzonitrile | 1309273-30-0

• 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: (E)-4-(2-(4-diazo-4H-imidazol-5-yl)vinyl)benzonitrile
• 英文别名: 4-[(E)-2-[(5E)-5-diazoimidazol-4-yl]ethenyl]benzonitrile
• CAS: 1309273-30-0
• 化学式: C₁₂H₇N₅
• 分子量: 221.221
• InChiKey: NUEIWASUTDQOTL-AATRIKPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-4-(2-(4-diazo-4H-imidazol-5-yl)vinyl)benzonitrile 、 Methylthiomethyl isocyanate 在 氮气 、 ice 、 水 、 乙醚 、 crude product 、 silica 作用下， 以 二甲基亚砜 为溶剂， 反应 16.0h， 以to give the pure title compound as a bright yellow solid (71 mg, 8%)的产率得到(E)-4-(2-(3-(methylthiomethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-8-yl)vinyl)benzonitrile
  参考文献：
  名称：

  3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds and their use

  摘要：

  本发明涉及治疗化合物领域，更具体地涉及以下式子的3-取代-8-取代-3H-咪唑[5,1-d][1,2,3,5]四唑-4-酮化合物（统称为38TM化合物），其中-A和-B如本文所定义。本发明还涉及包括此类化合物的制药组合物以及使用此类化合物和组合物在体外和体内抑制细胞增殖，治疗增殖性疾病如癌症等的用途，以及制备此类化合物的方法。

  公开号：

  US09024018B2

文献信息

• [EN] 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS 3H-IMIDAZO[5,1-D][1,2,3,5-TÉTRAZIN-4-ONE 3-SUBSTITUÉS-8-SUBSTITUÉS ET LEUR UTILISATION
  申请人：PHARMINOX LTD

  公开号：WO2010149968A1

  公开（公告）日：2010-12-29

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds of the following formula, wherein -A and -B are as defined herein (collectively referred to herein as 38TM compounds): (1). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit cell proliferation, and in the treatment of proliferative disorders such as cancer, etc., and methods of preparing such compounds.

  本发明一般涉及治疗化合物领域，更具体地涉及以下公式的3-取代-8-取代-3H-咪唑[5,1-d][1,2,3,5]四唑-4-酮化合物，其中-A和-B如本文所定义（统称为38TM化合物）：（1）。本发明还涉及包含这种化合物的药物组合物，以及利用这种化合物和组合物在体外和体内抑制细胞增殖，治疗增生性疾病如癌症等的用途，以及制备这种化合物的方法。
• 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use
  申请人：Hummersone Marc Geoffery

  公开号：US20120083513A1

  公开（公告）日：2012-04-05

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds of the following formula, wherein -A and —B are as defined herein (collectively referred to herein as 38TM compounds): The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit cell proliferation, and in the treatment of proliferative disorders such as cancer, etc., and methods of preparing such compounds.

  本发明涉及治疗化合物领域，更具体地涉及以下式子的3-取代-8-取代-3H-咪唑[5,1-d][1,2,3,5]四唑-4-酮化合物，其中-A和—B在此定义（统称为38TM化合物）：本发明还涉及包含这种化合物的制药组合物，以及在体内外使用这种化合物和组合物来抑制细胞增殖，治疗增殖性疾病如癌症等，以及制备这种化合物的方法。
• 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE
  申请人：Pharminox Limited

  公开号：EP2445915A1

  公开（公告）日：2012-05-02
• US9024018B2
  申请人：——

  公开号：US9024018B2

  公开（公告）日：2015-05-05
• 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds and their use
  申请人：Hummersone Marc Geoffery

  公开号：US09024018B2

  公开（公告）日：2015-05-05

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds of the following formula, wherein -A and —B are as defined herein (collectively referred to herein as 38TM compounds): The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit cell proliferation, and in the treatment of proliferative disorders such as cancer, etc., and methods of preparing such compounds.

  本发明涉及治疗化合物领域，更具体地涉及以下式子的3-取代-8-取代-3H-咪唑[5,1-d][1,2,3,5]四唑-4-酮化合物（统称为38TM化合物），其中-A和-B如本文所定义。本发明还涉及包括此类化合物的制药组合物以及使用此类化合物和组合物在体外和体内抑制细胞增殖，治疗增殖性疾病如癌症等的用途，以及制备此类化合物的方法。