[Amino-(4-aminomethyl-piperidin-1-yl)-methylene]-carbamic acid benzyl ester trifluoroacetic acid salt

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Amino-(4-aminomethyl-piperidin-1-yl)-methylene]-carbamic acid benzyl ester trifluoroacetic acid salt
• 英文别名: benzyl N-[4-(aminomethyl)piperidine-1-carboximidoyl]carbamate;2,2,2-trifluoroacetic acid
• 化学式: C₂HF₃O₂*C₁₅H₂₂N₄O₂
• 分子量: 404.389
• InChiKey: XCPNTQYBHQWXFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.94
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  131
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [Amino-(4-aminomethyl-piperidin-1-yl)-methylene]-carbamic acid benzyl ester trifluoroacetic acid salt 、 三氟乙酸 、 3-[2-(2,4-Dichloro-phenyl)-ethoxy]-4-methyl-benzoic acid 在 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以146 mg (79.5%)的产率得到{Amino-[4-({3-[2-(2,4-dichloro-phenyl)-ethoxy]-4-methyl-benzoylamino}-methyl)-piperidin-1-yl]-methylene}-carbamic Acid Benzyl Ester
  参考文献：
  名称：

  Guanidine and amidine derivatives as factor Xa inhibitors

  摘要：

  本发明涉及公式I的化合物，其中R0；Q；X；Q′；D；R10和V具有所述权利要求中指示的含义。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栓作用，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。它们是血凝酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，通常可应用于存在因子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的疾病。本发明还涉及公式I化合物的制备方法，它们的使用，特别是作为药物的活性成分，以及包含它们的制药制剂。

  公开号：

  US20020173656A1

文献信息

• GUANIDINE AND AMIDINE DERIVATIVES AS FACTOR XA INHIBITORS
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1345900A1

  公开（公告）日：2003-09-24
• US7435747B2
  申请人：——

  公开号：US7435747B2

  公开（公告）日：2008-10-14
• [EN] GUANIDINE AND AMIDINE DERIVATIVES AS FACTOR XA INHIBITORS<br/>[FR] DÉRIVÉS GUANIDINE ET AMIDINE UTILISABLES COMME INHIBITEURS DU FACTEUR XA
  申请人：AVENTIS PHARMA GMBH

  公开号：WO2002046159A1

  公开（公告）日：2002-06-13

  The present invention relates compounds of the formula (I), in which R0, Q, X, Q', D, R10 and V have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders like thromboembolic diseases or restenoses. They are reversible inhibitors 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 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.
• Guanidine and amidine derivatives as factor Xa inhibitors
  申请人：——

  公开号：US20020173656A1

  公开（公告）日：2002-11-21

  The present invention relates to compounds of the formula I, 1 in which R 0 ; Q; X; Q′, D, R 10 and V have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders like thromboembolic diseases or restenoses. They are reversible inhibitors 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 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R0；Q；X；Q′；D；R10和V具有所述权利要求中指示的含义。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栓作用，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。它们是血凝酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，通常可应用于存在因子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的疾病。本发明还涉及公式I化合物的制备方法，它们的使用，特别是作为药物的活性成分，以及包含它们的制药制剂。