4-Bromo-3-[2-(2,4-dichlorophenyl)-ethoxy]-5-ethoxy-benzoic acid

• 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: 4-Bromo-3-[2-(2,4-dichlorophenyl)-ethoxy]-5-ethoxy-benzoic acid
• 英文别名: 4-bromo-3-[2-(2,4-dichlorophenyl)ethoxy]-5-ethoxybenzoic acid
• 化学式: C₁₇H₁₅BrCl₂O₄
• 分子量: 434.114
• InChiKey: WEHQQWUEQRGWQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-pyridinyl)-4-aminomethylpiperidine 、 4-Bromo-3-[2-(2,4-dichlorophenyl)-ethoxy]-5-ethoxy-benzoic acid 在 N-乙基吗啉 、 O-[(ethoxycarbonyl)cyanomethyleneamino]-N,N,N',N'-tetramethyluronium tetrafluoroborate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-Bromo-3-[2-(2,4-Dichloro-Phenyl)-Ethoxy]-5-Ethoxy-N-(3,4,5,6-Tetrahydro-2H-[1,4']Bipyridinyl-4-Ylmethyl)-Benzamide
  参考文献：
  名称：

  Novel factor Xa inhibitors based on a benzoic acid scaffold and incorporating a neutral P1 ligand

  摘要：

  A series of novel, highly potent, achiral factor Xa inhibitors based on a benzoic acid scaffold and containing a chlorophenethyl moiety directed towards the protease S1 pocket is described. A number of structural features, such as the requirements of the P1, P4 and ester-binding pocket ligands were explored with respect to inhibition of factor Xa. Compound 46 was found to be the most potent compound in a series of antithrombotic secondary assays. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.059
• 作为产物：
  描述：

  2,4-二氯苯乙醇 在 sodium hydroxide 、 PPh₃-polystyrene 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 生成 4-Bromo-3-[2-(2,4-dichlorophenyl)-ethoxy]-5-ethoxy-benzoic acid
  参考文献：
  名称：

  Novel factor Xa inhibitors based on a benzoic acid scaffold and incorporating a neutral P1 ligand

  摘要：

  A series of novel, highly potent, achiral factor Xa inhibitors based on a benzoic acid scaffold and containing a chlorophenethyl moiety directed towards the protease S1 pocket is described. A number of structural features, such as the requirements of the P1, P4 and ester-binding pocket ligands were explored with respect to inhibition of factor Xa. Compound 46 was found to be the most potent compound in a series of antithrombotic secondary assays. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.059

文献信息

• New oxybenzamide derivatives useful for inhibiting factor Xa or VIIa
  申请人：——

  公开号：US20020198195A1

  公开（公告）日：2002-12-26

  The present invention relates to compounds comprising the following formula: R 0 —Q—X—Q′—W—U—V—G—M  (I) These compounds are useful as pharmacologically active compounds. They exhibit an antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders such as thromboembolic diseases or restenoses. These compounds are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can generally be used to treat, prevent, or cure conditions in which an undesired activity of factor Xa and/or factor VIIa is present, or where inhibition of factor Xa and/or factor VIIa is intended. The invention further relates to processes for the preparation of these compounds, methods of their use (e.g., as active ingredients in pharmaceuticals), and pharmaceutical preparations comprising them.

  本发明涉及包含以下公式的化合物： R 0 —Q—X—Q′—W—U—V—G—M  (I) 这些化合物作为药物活性化合物是有用的。它们展现出抗血栓作用，并适用于例如治疗和预防心血管疾病，如血栓栓塞性疾病或再狭窄。这些化合物是血液凝固酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆性抑制剂，通常可用于治疗、预防或治愈存在因子Xa和/或因子VIIa不期望活性的情况，或旨在抑制因子Xa和/或因子VIIa的情况。本发明还涉及制备这些化合物的方法、它们的使用方法（例如，作为药品中的活性成分）以及包含它们的药物制剂。
• Oxybenzamide derivatives useful for inhibiting factor Xa or Vlla
  申请人：Nazare Marc

  公开号：US20050165058A1

  公开（公告）日：2005-07-28

  The present invention relates to compounds comprising the following formula: R 0 -Q-X-Q′-W—U—V-G-M  (I) These compounds are useful as pharmacologically active compounds. They exhibit an antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders such as thromboembolic diseases or restenoses. These compounds are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can generally be used to treat, prevent, or cure conditions in which an undesired activity of factor Xa and/or factor VIIa is present, or where inhibition of factor Xa and/or factor VIIa is intended. The invention further relates to processes for the preparation of these compounds, methods of their use (e.g., as active ingredients in pharmaceuticals), and pharmaceutical preparations comprising them.

  本发明涉及以下式子的化合物：R0-Q-X-Q′-W—U—V-G-M（I）。这些化合物可用作药理活性化合物。它们表现出抗血栓作用，例如，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。这些化合物是血液凝固酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，并且通常可用于治疗，预防或治愈存在因子Xa和/或因子VIIa的不良活性或需要抑制因子Xa和/或因子VIIa的情况。本发明还涉及制备这些化合物的方法，它们的使用方法（例如，作为药物的活性成分）以及包含它们的制药制剂。
• Oxybenzamide derivatives useful for inhibiting factor Xa or viia
  申请人：Nazaré Marc

  公开号：US06953857B2

  公开（公告）日：2005-10-11

  The present invention relates to compounds comprising the following formula: R 0 —Q—X—Q′—W—U—V—G—M  (I) These compounds are useful as pharmacologically active compounds. They exhibit an antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders such as thromboembolic diseases or restenoses. These compounds are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can generally be used to treat, prevent, or cure conditions in which an undesired activity of factor Xa and/or factor VIIa is present, or where inhibition of factor Xa and/or factor VIIa is intended. The invention further relates to processes for the preparation of these compounds, methods of their use (e.g., as active ingredients in pharmaceuticals), and pharmaceutical preparations comprising them.

  本发明涉及以下公式的化合物：R0-Q-X-Q′-W-U-V-G-M (I)。这些化合物可用作药理活性化合物。它们表现出抗血栓作用，适用于治疗和预防心血管疾病，例如血栓栓塞性疾病或再狭窄。这些化合物是血液凝血酶酶因子Xa（FXa）和/或酶因子VIIa（FVIIa）的可逆抑制剂，通常可用于治疗、预防或治愈存在酶因子Xa和/或酶因子VIIa不良活性或需要抑制酶因子Xa和/或酶因子VIIa的情况。本发明还涉及制备这些化合物的方法、它们的使用方法（例如作为药物的活性成分）以及包含它们的制药制剂。
• OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1349847A1

  公开（公告）日：2003-10-08
• US6953857B2
  申请人：——

  公开号：US6953857B2

  公开（公告）日：2005-10-11