ethyl 5-cyano-6-(4-{[(4-methylphenyl)amino]carbonyl}piperazin-1-yl)-2-(trifluoro-methyl)nicotinate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: ethyl 5-cyano-6-(4-{[(4-methylphenyl)amino]carbonyl}piperazin-1-yl)-2-(trifluoro-methyl)nicotinate
• 英文别名: ethyl 5-cyano-6-(4-{[(4-methylphenyl)amino]carbonyl}piperazin-1-yl)-2-(trifluoromethyl)nicotinate；ethyl 5-cyano-6-[4-[(4-methylphenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate
• 化学式: C₂₂H₂₂F₃N₅O₃
• 分子量: 461.444
• InChiKey: FWHFFMZOLDHQHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  98.6
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  6-氯-5-氰基-2-(三氟甲基)烟酸乙酯 在 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 16.33h， 生成 ethyl 5-cyano-6-(4-{[(4-methylphenyl)amino]carbonyl}piperazin-1-yl)-2-(trifluoro-methyl)nicotinate
  参考文献：
  名称：

  A novel series of piperazinyl-pyridine ureas as antagonists of the purinergic P2Y12 receptor

  摘要：

  A novel series of P2Y(12) antagonists for development of drugs within the antiplatelet area is presented. The synthesis of the piperazinyl-pyridine urea derivatives and their structure-activity relationships (SAR) are described. Several compounds showed P2Y(12) antagonistic activities in the sub-micromolar range. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.088

文献信息

• New Pyridine Analogues II
  申请人：Brickmann Kay

  公开号：US20070244088A1

  公开（公告）日：2007-10-18

  The present invention relates to certain new pyridin analogues of Formula (I) to processes for preparing such compounds, to their utility in medicine in general and especially as P2Y 12 inhibitors and as anti-thrombotic agents, etc, their use as medicaments in cardiovascular diseases as well as pharmaceutical compositions containing them.

  本发明涉及某些新的Formula (I)的吡啶类似物，涉及制备这类化合物的方法，它们在医学上的用途，特别是作为P2Y12受体拮抗剂和抗血栓药物等，它们在心血管疾病中作为药物的用途，以及含有它们的药物组合物。
• Pyridine Analogues II
  申请人：Brickmann Kay

  公开号：US20090186876A1

  公开（公告）日：2009-07-23

  The present invention relates to certain new pyridin analogues of Formula (I) [Chemical formula should be inserted here. Please see paper copy] Formula (I) to processes for preparing such compounds, to their utility in medicine in general and especially as P2Y 12 inhibitors and as anti-trombotic agents etc, their use as medicaments in cardiovascular diseases as well as pharmaceutical compositions containing them.

  本发明涉及某些新的Formula (I) [化学式应在此处插入。请参阅纸质副本]的吡啶类似物，以及制备这些化合物的过程，它们在医学上的用途，特别是作为P2Y12抑制剂和抗血栓药物等，它们在心血管疾病中用作药物以及包含它们的制药组合物。
• NEW PYRIDINE ANALOGUES
  申请人：AstraZeneca AB

  公开号：EP2041111A1

  公开（公告）日：2009-04-01
• [EN] NEW PYRIDINE ANALOGUES<br/>[FR] NOUVEAUX ANALOGUES DE PYRIDINE
  申请人：ASTRAZENECA AB

  公开号：WO2008002247A1

  公开（公告）日：2008-01-03

  [EN] The present invention relates to certain new pyridin analogues of Formula ( I ) [Chemical formula should be inserted here. Please see paper copy] Formula ( I ) to processes for preparing such compounds, to their utility in medicine in general and especially as P2Y₁₂ inhibitors and as anti-trombotic agents etc, their use as medicaments in cardiovascular diseases as well as pharmaceutical compositions containing them.
  [FR] La présente invention porte sur certains nouveaux analogues de pyridine de formule (I) et sur des procédés de préparation de ces composés, sur leur utilité dans le domaine médical, en général, et notamment comme inhibiteurs de P2Y₁₂ et comme agents anti-thrombotiques, etc., sur leur utilisation comme médicaments dans le traitement de maladies cardio-vasculaires, et sur des compositions pharmaceutiques les contenant.
• A novel series of piperazinyl-pyridine ureas as antagonists of the purinergic P2Y12 receptor
  作者：Peter Bach、Jonas Boström、Kay Brickmann、J.J.J. van Giezen、Ragnar Hovland、Annika U. Petersson、Asim Ray、Fredrik Zetterberg

  DOI：10.1016/j.bmcl.2011.03.088

  日期：2011.5

  A novel series of P2Y(12) antagonists for development of drugs within the antiplatelet area is presented. The synthesis of the piperazinyl-pyridine urea derivatives and their structure-activity relationships (SAR) are described. Several compounds showed P2Y(12) antagonistic activities in the sub-micromolar range. (C) 2011 Elsevier Ltd. All rights reserved.