4-oxo-3-(thiophen-2-ylmethyl)-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide | 1161825-86-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑四嗪类
• 英文名称: 4-oxo-3-(thiophen-2-ylmethyl)-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
• 英文别名: 4-oxo-3-(thiophen-2-ylmethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
• CAS: 1161825-86-0
• 化学式: C₁₀H₈N₆O₂S
• 分子量: 276.279
• InChiKey: UFSNYQQHWKTLSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  134
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-噻吩乙酸 在 二苯基膦叠氮化物 、 三乙胺 作用下， 以 二甲基亚砜 、 甲苯 为溶剂， 反应 3.5h， 生成 4-oxo-3-(thiophen-2-ylmethyl)-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
  参考文献：
  名称：

  [EN] 3-SUBSTITUTED-4-0X0-3, 4-DIHYDRO-IMIDAZO- [5, 1-D] [1,2,3,5] -TETRAZINE-8-CARBOXYLIC ACID AMIDES AS ANTICANCER AGENTS
  [FR] AMIDES D'ACIDES 4-OXO-3,4-DIHYDROIMIDAZO[5,1-D][1,2,3,5-TÉTRAZINE-8-CARBOXYLIQUES SUBSTITUÉS EN POSITION 3 ET LEUR UTILISATION

  摘要：

  公开号：

  WO2009077741A3

文献信息

• Synthesis and growth-inhibitory activities of imidazo[5,1-<i>d</i>]-1,2,3,5-tetrazine-8-carboxamides related to the anti-tumour drug temozolomide, with appended silicon, benzyl and heteromethyl groups at the 3-position
  作者：David Cousin、Marc G. Hummersone、Tracey D. Bradshaw、Jihong Zhang、Christopher J. Moody、Magdalena B. Foreiter、Helen S. Summers、William Lewis、Richard T. Wheelhouse、Malcolm F. G. Stevens

  DOI：10.1039/c7md00554g

  日期：——

  The synthesis and biological evaluation of imidazotetrazines substituted at N-3 is described.

  对N-3位取代的咪唑四氮唑类化合物的合成和生物评价进行了描述。
• 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d][1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use
  申请人：Stevens Malcolm Francis Graham

  公开号：US20100286088A1

  公开（公告）日：2010-11-11

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain 3-substituted-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide (collectively referred to herein as 3TM 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，更具体地涉及某些3-取代-4-氧代-3,4-二氢咪唑[5,1-d][1,2,3,5]四嗪-8-羧酸酰胺（统称为3TM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，在治疗增生性疾病如癌症等方面的应用，以及制备这种化合物的方法。
• 3-substituted-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5-tetrazine-8-carboxylic acid amides and their use
  申请人：Stevens Malcolm Francis Graham

  公开号：US08450479B2

  公开（公告）日：2013-05-28

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain 3-substituted-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide (collectively referred to herein as 3TM 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，更具体地涉及某些3-取代-4-氧代-3,4-二氢咪唑[5,1-d][1,2,3,5]四嗪-8-羧酸酰胺（统称为3TM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-4-Oxo-3,4-Dihydro-Imidazo[5,1-d]1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use
  申请人：Pharminox Limited

  公开号：US20130338104A1

  公开（公告）日：2013-12-19

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain 3-substituted-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide (collectively referred to herein as 3TM 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，更具体地涉及某些3-取代-4-氧代-3,4-二氢咪唑[5,1-d][1,2,3,5]四唑-8-羧酸酰胺（以下统称为3TM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-4-oxo-3,4-dihydro-imidazo-[5,1-d][1,2,3,5]-tetrazine-8-carboxylic acid amides as anticancer agents
  申请人：Pharminox Limited

  公开号：EP2698370A2

  公开（公告）日：2014-02-19

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain 3-substituted-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide (collectively referred to herein as 3TM 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.

  本发明一般涉及治疗化合物领域，更具体地说，涉及某些 3-取代-4-氧代-3,4-二氢咪唑并[5,1-d][1,2,3,5]四嗪-8-羧酸酰胺（本文统称为 3TM 化合物）。本发明还涉及包含此类化合物的药物组合物，以及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方面的用途，以及制备此类化合物的方法。