(S)-3-(1-phenylpropyl)-8-carbamoylimidazo[5,1-d][1,2,3,5]tetrazin-4-one | 1161825-74-6

• 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: (S)-3-(1-phenylpropyl)-8-carbamoylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
• 英文别名: (S)-3-(1-phenylpropyl)-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide；4-oxo-3-[(1S)-1-phenylpropyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
• CAS: 1161825-74-6
• 化学式: C₁₄H₁₄N₆O₂
• 分子量: 298.304
• InChiKey: SUNOULWYZYYMER-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-重氮基-4H-咪唑-5-甲酰胺 、 (S)-(-)-1-异氰酸苯丙酯 以 二甲基亚砜 为溶剂， 反应 16.0h， 以33%的产率得到(S)-3-(1-phenylpropyl)-8-carbamoylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
  参考文献：
  名称：

  Synthesis and growth-inhibitory activities of imidazo[5,1-d]-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

  摘要：

  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。

  DOI：

  10.1039/c7md00554g

文献信息

• 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。
• [EN] 3-SUBSTITUTED-4-0X0-3, 4-DIHYDRO-IMIDAZO- [5, 1-D] [1,2,3,5] -TETRAZINE-8-CARBOXYLIC ACID AMIDES AS ANTICANCER AGENTS<br/>[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
  申请人：PHARMINOX LTD

  公开号：WO2009077741A3

  公开（公告）日：2009-12-03
• US8450479B2
  申请人：——

  公开号：US8450479B2

  公开（公告）日：2013-05-28
• [EN] 3-SUBSTITUTED-4-OXO-3,4-DIHYDRO-IMIDAZO-[5,1-D][1,2,3,5-TETRAZINE-8-CARBOXYLIC ACID AMIDES AND THEIR USE<br/>[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
  申请人：PHARMINOX LTD

  公开号：WO2009077741A2

  公开（公告）日：2009-06-25

  The present invention pertains generally to the field of therapeutic compounds, and mor specifically to certain 3-substituted-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.
• 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。