(S)-4-amino-5-oxo-5-[4-(3-trifluoromethylphenyl)piperazin-1-yl]pentanoic acid tert-butyl ester | 1164338-53-7

• 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: (S)-4-amino-5-oxo-5-[4-(3-trifluoromethylphenyl)piperazin-1-yl]pentanoic acid tert-butyl ester
• 英文别名: (S)-4-Amino-5-oxo-5-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-pentanoic acid tert-butyl ester；tert-butyl (4S)-4-amino-5-oxo-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanoate
• CAS: 1164338-53-7
• 化学式: C₂₀H₂₈F₃N₃O₃
• 分子量: 415.456
• InChiKey: UOUWIQCIJLPSPR-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  29
• 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：
  75.9
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylic acid 、 (S)-4-amino-5-oxo-5-[4-(3-trifluoromethylphenyl)piperazin-1-yl]pentanoic acid tert-butyl ester 在 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 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 (S)-4-[(5-hydroxy-1-phenyl-1H-pyrazole-3-carbonyl)amino]-5-oxo-5-[4-(3-trifluoromethylphenyl)piperazin-1-yl]pentanoic acid tert-butyl ester
  参考文献：
  名称：

  [EN] PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS
  [FR] DÉRIVÉS DE PYRAZOLE-CARBOXAMIDE UTILES EN TANT QU'ANTAGONISTES DE P2Y12

  摘要：

  公开号：

  WO2009080227A3
• 作为产物：
  描述：

  (S)-4-benzyloxycarbonylamino-5-oxo-5-[4-(3-trifluoromethylphenyl)piperazin-1-yl]pentanoic acid tert-butyl ester 在 palladium on activated carbon 氢气 作用下， 以 乙醇 为溶剂， 生成 (S)-4-amino-5-oxo-5-[4-(3-trifluoromethylphenyl)piperazin-1-yl]pentanoic acid tert-butyl ester
  参考文献：
  名称：

  [EN] PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS
  [FR] DÉRIVÉS DE PYRAZOLE-CARBOXAMIDE UTILES EN TANT QU'ANTAGONISTES DE P2Y12

  摘要：

  公开号：

  WO2009080227A3

文献信息

• Pyrazole-carboxamide derivatives as P2Y12 antagonists
  申请人：Nazaré Marc

  公开号：US08598179B2

  公开（公告）日：2013-12-03

  The present invention relates to compounds of the formula I, wherein R1; R2; Z; A; B; D; Q; J; V; G and M have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong anti-aggregating effect on platelets and thus an anti-thrombotic effect and are suitable, e.g., for the therapy and prophylaxis of cardio-vascular disorders like thromboembolic diseases or restenoses. They are reversible antagonists of the platelet ADP receptor P2Y12, and can in general be applied in conditions in which an undesired activation of the platelet ADP receptor P2Y12 is present or for the cure or prevention of which an inhibition of the platelet ADP receptor P2Y12 is intended. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及式I的化合物，其中R1；R2；Z；A；B；D；Q；J；V；G和M具有所述要求中指示的含义。式I的化合物是有价值的药理活性化合物。它们展示出强烈的抗血小板聚集作用，因此具有抗血栓作用，并适用于治疗和预防心血管疾病，如血栓栓塞性疾病或再狭窄。它们是血小板ADP受体P2Y12的可逆拮抗剂，通常适用于存在不必要的血小板ADP受体P2Y12激活或需要抑制血小板ADP受体P2Y12的治疗或预防的情况。此外，本发明还涉及制备式I化合物的方法，它们的用途，特别是作为药物中的有效成分，并含有它们的制药制剂。
• PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS
  申请人：NAZARÉ Marc

  公开号：US20110039829A1

  公开（公告）日：2011-02-17

  The present invention relates to compounds of the formula I, wherein R1; R2; Z; A; B; D; Q; J; V; G and M have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong anti-aggregating effect on platelets and thus an anti-thrombotic effect and are suitable, e.g., for the therapy and prophylaxis of cardio-vascular disorders like thromboembolic diseases or restenoses. They are reversible antagonists of the platelet ADP receptor P2Y12, and can in general be applied in conditions in which an undesired activation of the platelet ADP receptor P2Y12 is present or for the cure or prevention of which an inhibition of the platelet ADP receptor P2Y12 is intended. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及公式I的化合物，其中R1; R2; Z; A; B; D; Q; J; V; G和M具有所述声明中指示的含义。公式I的化合物是有价值的药理活性化合物。它们表现出强烈的抗血小板聚集作用，从而具有抗血栓作用，并适用于治疗和预防心血管疾病，如血栓栓塞性疾病或再狭窄。它们是血小板ADP受体P2Y12的可逆拮抗剂，并且通常适用于存在不良激活血小板ADP受体P2Y12的情况或者治愈或预防需要抑制血小板ADP受体P2Y12的情况。本发明还涉及公式I的化合物的制备过程，它们的使用，特别是作为药物中的活性成分，以及包含它们的制药制剂。
• US8598179B2
  申请人：——

  公开号：US8598179B2

  公开（公告）日：2013-12-03
• [EN] PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS<br/>[FR] DÉRIVÉS DE PYRAZOLE-CARBOXAMIDE UTILES EN TANT QU'ANTAGONISTES DE P2Y12
  申请人：SANOFI AVENTIS

  公开号：WO2009080227A3

  公开（公告）日：2009-09-17