2-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-methanesulfonylaminocarbonyl-2H-pyrazole-3-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide | 713142-87-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-methanesulfonylaminocarbonyl-2H-pyrazole-3-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide
• 英文别名: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-methylsulfonyl-5-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3,5-dicarboxamide
• CAS: 713142-87-1
• 化学式: C₂₂H₂₇ClN₆O₅S₂
• 分子量: 555.079
• InChiKey: QREXSVFXXKWBAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  176
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• Pyrazole-derivatives as factor Xa inhibitors
  申请人：AVENTIS PHARMA DEUTSCHLAND GMBH

  公开号：US20040204406A1

  公开（公告）日：2004-10-14

  The present invention is directed to a compound of formula I, 1 in which R 0 ; R 1 ; R 2 ; R 3 ; R 4 ; Q; V, G and M have the meanings indicated below. The compound of formula I is a pharmacologically active compound. It exhibits a strong anti-thrombotic effect and is suitable, for example, for the therapy and prophylaxis of a cardio-vascular disorder like a thromboembolic disease or restenosis. It is a reversible inhibitor of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can in general be applied in conditions in which an undesired activity of factor Xa and/or factor VIIa is present or for the cure or prevention of which an inhibition of factor Xa and/or factor VIIa is intended. The invention furthermore is directed to a process for the preparation of the compound of formula I, and pharmaceutical preparation comprising it.

  本发明涉及一种I式化合物，其中R0、R1、R2、R3、R4、Q、V、G和M具有下面所示的含义。I式化合物是一种具有药理活性的化合物。它表现出强烈的抗血栓作用，适用于治疗和预防心血管疾病，如血栓栓塞病或再狭窄。它是血凝酶酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，通常可用于存在因子Xa和/或因子VIIa不良活性的情况，或者用于治疗或预防需要抑制因子Xa和/或因子VIIa的情况。此外，本发明还涉及一种制备I式化合物的方法，以及包含它的制药制剂。
• US7910606B2
  申请人：——

  公开号：US7910606B2

  公开（公告）日：2011-03-22