3,5-dimethyl-4-{2-oxo-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-acetyl}-1H-pyrrole-2-carboxylic acid | 1093415-26-9

• 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: 3,5-dimethyl-4-{2-oxo-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-acetyl}-1H-pyrrole-2-carboxylic acid
• 英文别名: 3,5-dimethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-pyrrole-2-carboxylic acid
• CAS: 1093415-26-9
• 化学式: C₂₀H₂₀F₃N₃O₄
• 分子量: 423.392
• InChiKey: BMXPSHUHHHRCHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  93.7
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3,5-dimethyl-4-{2-oxo-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-acetyl}-1H-pyrrole-2-carboxylic acid ethyl ester 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 5.0h， 以85%的产率得到3,5-dimethyl-4-{2-oxo-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-acetyl}-1H-pyrrole-2-carboxylic acid
  参考文献：
  名称：

  WO2008/155022

  摘要：

  公开号：

文献信息

• PYRROLE DERIVATIVES AS P2Y12 ANTAGONISTS
  申请人：KLINGLER Otmar

  公开号：US20100226918A1

  公开（公告）日：2010-09-09

  The present invention relates to compounds of the formula I, in which R1; R2; R3; R4; R5; R6; R7; R8; R9; R10; R11; R12; R13; A; B, D and E 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; R3; R4; R5; R6; R7; R8; R9; R10; R11; R12; R13; A; B，D和E在权利要求中所示。公式I的化合物是有价值的药理活性化合物。它们在血小板上表现出强烈的抗聚集作用，因此具有抗血栓作用，适用于治疗和预防心血管疾病，如血栓栓塞病或再狭窄。它们是血小板ADP受体P2Y12的可逆拮抗剂，通常适用于存在不良的血小板ADP受体P2Y12激活的情况或者需要抑制血小板ADP受体P2Y12的治疗或预防。此外，本发明还涉及公式I的化合物制备的方法，它们的使用，特别是作为药物的活性成分，以及包含它们的制剂。
• Pyrrole derivatives as P2Y12 antagonists
  申请人：Sanofi-Aventis

  公开号：US07910576B2

  公开（公告）日：2011-03-22

  The present invention relates to compounds of the formula I, in which R1; R2; R3; R4; R5; R6; R7; R8; R9; R10; R11; R12; R13; A; B, D and E 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; R3; R4; R5; R6; R7; R8; R9; R10; R11; R12; R13; A; B、D和E具有所述索赔中指示的含义。公式I的化合物是有价值的药理活性化合物。它们对血小板具有强烈的抗聚集作用，因此具有抗血栓作用，适用于心血管疾病的治疗和预防，例如血栓栓塞疾病或再狭窄。它们是血小板ADP受体P2Y12的可逆拮抗剂，通常适用于存在不良激活血小板ADP受体P2Y12的情况，或者用于治疗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化合物的制备方法，它们的用途，特别是作为药物中的活性成分，以及包含它们的制药制剂。
• US7910576B2
  申请人：——

  公开号：US7910576B2

  公开（公告）日：2011-03-22
• [EN] PYRROLE DERIVATIVES AS P2Y12 ANTAGONISTS<br/>[FR] DÉRIVÉS DU PYRROLE EN TANT QU'ANTAGONISTES DE P2Y12
  申请人：SANOFI AVENTIS

  公开号：WO2008155022A1

  公开（公告）日：2008-12-24

  [EN] The present invention relates to compounds of the formula (I), in which R1; R2; R3; R4; R5; R6; R7; R8; R9; R10; R11; R12; R13; A; B, D and E have the meanings indicated 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.
  [FR] La présente invention concerne des composés de formule (I), dans laquelle R1; R2; R3; R4; R5; R6; R7; R8; R9; R10; R11; R12; R13; A; B; D et E ont les significations indiquées dans les revendications. Les composés de formule (I) sont des composés pharmacologiquement actifs importants. Ils présentent un effet antiagrégation plaquettaire fort, et donc également un effet antithrombotique, et conviennent par exemple pour le traitement et la prophylaxie des troubles cardio-vasculaires comme les maladies thromboemboliques ou les resténoses. Les composés sont des antagonistes réversibles du récepteur plaquettaire de l'ADP P2Y12, et peuvent généralement être appliqués dans des conditions dans lesquelles une activation non désirée du récepteur plaquettaire de l'ADP P2Y12 est présente ou pour des traitements ou préventions pour lesquels l'inhibition du récepteur plaquettaire de l'ADP P2Y12 est prévue. L'invention concerne de plus les procédés de préparation des composés de formule (I), leur utilisation, en particulier en tant qu'ingrédients actifs dans les préparations pharmaceutiques, et les procédés de préparation des préparations pharmaceutiques les contenant.
• WO2008/155022
  申请人：——

  公开号：——

  公开（公告）日：——