ethyl 6-(4-(tert-butoxycarbonyl)piperidin-1-yl)-5-cyano-2-methylnicotinate | 898227-84-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: ethyl 6-(4-(tert-butoxycarbonyl)piperidin-1-yl)-5-cyano-2-methylnicotinate
• 英文别名: ethyl 6-[4-(tert-butoxycarbonyl)piperidin-1-yl]-5-cyano-2-methylnicotinate；ethyl 5-cyano-2-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]pyridine-3-carboxylate
• CAS: 898227-84-4
• 化学式: C₂₀H₂₇N₃O₄
• 分子量: 373.452
• InChiKey: IERVHBDJOHKARP-UHFFFAOYSA-N

物化性质

• 沸点：
  520.4±50.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  92.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 6-(4-(tert-butoxycarbonyl)piperidin-1-yl)-5-cyano-2-methylnicotinate 在 lithium hydroxide 、 水 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 53.0h， 生成 2,2-dimethylpropyl 6-[4-(tert-butoxycarbonyl)piperidin-1-yl]-5-cyano-2-methylnicotinate
  参考文献：
  名称：

  WO2006/73361

  摘要：

  公开号：
• 作为产物：
  描述：

  ethyl 2-[(dimethylamino)methylene]-3-oxobutanoate 在 sodium hydride 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 N,N-二甲基乙酰胺 为溶剂， 反应 20.0h， 生成 ethyl 6-(4-(tert-butoxycarbonyl)piperidin-1-yl)-5-cyano-2-methylnicotinate
  参考文献：
  名称：

  WO2006/73361

  摘要：

  公开号：

文献信息

• [EN] 2-AMINO-6-ALKYL SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS P2Y12 INHIBITORS 308<br/>[FR] DÉRIVÉS DE PYRIDINE SUBSTITUÉS PAR 2-AMINO-6-ALKYLE UTILES COMME INHIBITEURS DE P2Y12
  申请人：ASTRAZENECA AB

  公开号：WO2010005385A1

  公开（公告）日：2010-01-14

  The present invention relates to certain new pyridin analogues of Formula ( I ) to processes for preparing such compounds, to their utility as P2Y12 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）的吡啶类似物，以及制备这类化合物的方法，它们作为P2Y12抑制剂和抗血栓药物等的用途，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。
• Novel Pyridine Compounds
  申请人：Bach Peter

  公开号：US20090227555A2

  公开（公告）日：2009-09-10

  The present invention relates to certain novel pyridin compounds of Formula (I) to processes for preparing such compounds, to their utility as P2Y12 inhibitors and as anti-thrombotic agents etc, and processes for their preparation, their use as medicaments in cardiovascular diseases as well as pharmaceutical compositions containing them.

  本发明涉及某些新型的Formula (I)吡啶化合物，以及制备这些化合物的方法，它们作为P2Y12抑制剂和抗血栓剂等的用途，以及它们的制备过程，它们在心血管疾病中作为药物的用途，以及包含它们的制药组合物。
• Pyridine Analogues
  申请人：Andersen Soren

  公开号：US20080312208A1

  公开（公告）日：2008-12-18

  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 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)式吡啶类似物，化学式应在此处插入。请参见纸质副本Formula (I)，以及制备这些化合物的过程，它们作为P2Y12抑制剂和抗血栓剂等的效用，它们在心血管疾病中作为药物的用途以及含有它们的制药组合物。
• WO2007/8140
  申请人：——

  公开号：——

  公开（公告）日：——
• Optimization of ketone-based P2Y12 receptor antagonists as antithrombotic agents: Pharmacodynamics and receptor kinetics considerations
  作者：Fabrizio Giordanetto、Peter Bach、Fredrik Zetterberg、Thomas Antonsson、Ruth Bylund、Johan Johansson、Mikael Sellén、David Brown、Lotta Hideståhl、Pia Berntsson、Daniel Hovdal、Helen Zachrisson、Jan-Arne Björkman、J.J.J. van Giezen

  DOI：10.1016/j.bmcl.2014.04.001

  日期：2014.7

  Modification of a series of P2Y(12) receptor antagonists by replacement of the ester functionality was aimed at minimizing the risk of in vivo metabolic instability and pharmacokinetic variability. The resulting ketones were then optimized for their P2Y(12) antagonistic and anticoagulation effects in combination with their physicochemical and absorption profiles. The most promising compound showed very potent antiplatelet action in vivo. However, pharmacodynamic-pharmacokinetic analysis did not reveal a significant separation between its anti-platelet and bleeding effects. The relevance of receptor binding kinetics to the in vivo profile is described. (C) 2014 Elsevier Ltd. All rights reserved.