[2-[Bis-(4-fluoro-phenyl)-methyl]-4-(3-fluoro-phenyl)-pyrimidin-5-yl]acetic acid | 939437-32-8

• 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: [2-[Bis-(4-fluoro-phenyl)-methyl]-4-(3-fluoro-phenyl)-pyrimidin-5-yl]acetic acid
• 英文别名: 2-(2-(Bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl)pyrimidin-5-yl)acetic acid；2-[2-[bis(4-fluorophenyl)methyl]-4-(3-fluorophenyl)pyrimidin-5-yl]acetic acid
• CAS: 939437-32-8
• 化学式: C₂₅H₁₇F₃N₂O₂
• 分子量: 434.417
• InChiKey: ACFQRXVIUVXHIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  63.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  [2-[Bis-(4-fluorophenyl)-methyl]-4-(3-fluorophenyl)-pyrimidin-5-yl]-acetic acid ethyl ester 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 [2-[Bis-(4-fluoro-phenyl)-methyl]-4-(3-fluoro-phenyl)-pyrimidin-5-yl]acetic acid
  参考文献：
  名称：

  Exploration of SAR features by modifications of thiazoleacetic acids as CRTH2 antagonists

  摘要：

  The SAR features have been further explored for (2-benzhydryl-4-phenyl-thiazol-5-yl) acetic acids as CRTH2 (chemoattractant receptor-homologous molecule expressed on Th2 cells) antagonists. The introduction of a nitrogen or a methyl substituent in the benzhydrylic position offer two alternative drugable scaffolds attractive for unsymmetrically substituted derivatives. An imidazole analogue lacks activity due to formation of a favored coplanar intramolecular hydrogen bond. The pyrimidine derivative 18 represents a potent and selective compound that will be subject to continued investigations. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.092

文献信息

• [EN] NOVEL VIRAL REPLICATION INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE RÉPLICATION VIRALE
  申请人：UNIV LEUVEN KATH

  公开号：WO2011015641A1

  公开（公告）日：2011-02-10

  The present invention relates to a series of novel compounds having antiviral activity, more specifically HIV (Human Immunodeficiency Virus) replication inhibiting properties. The invention also relates to methods for the preparation of such compounds, as well as to novel intermediates useful in one or more steps of such syntheses. The invention also relates to pharmaceutical compositions comprising an effective amount of such compounds as active ingredients. This invention further relates to the use of such compounds as medicines or in the manufacture of a medicament useful for the treatment of animals suffering from viral infections, in particular HIV infection. This invention further relates to methods for the treatment of viral infections in animals by the administration of a therapeutical amount of such compounds, optionally combined with one or more other drugs having antiviral activity.

  本发明涉及一系列具有抗病毒活性的新化合物，更具体地说是具有抑制HIV（人类免疫缺陷病毒）复制的特性。该发明还涉及制备这些化合物的方法，以及在这些合成步骤中使用的新中间体。该发明还涉及包含这些化合物作为活性成分的有效量的药物组合物。本发明进一步涉及将这些化合物用作药物或用于制造对患有病毒感染，特别是HIV感染的动物进行治疗的药物。本发明还涉及通过给动物投予这些化合物的治疗量，可选择地与具有抗病毒活性的一个或多个其他药物结合的方法来治疗动物的病毒感染。
• NOVEL VIRAL REPLICATION INHIBITORS
  申请人：Chaltin Patrick

  公开号：US20120129840A1

  公开（公告）日：2012-05-24

  The present invention relates to a series of novel compounds having antiviral activity, more specifically HIV (Human Immunodeficiency Virus) replication inhibiting properties. The invention also relates to methods for the preparation of such compounds, as well as to novel intermediates useful in one or more steps of such syntheses. The invention also relates to pharmaceutical compositions comprising an effective amount of such compounds as active ingredients. This invention further relates to the use of such compounds as medicines or in the manufacture of a medicament useful for the treatment of animals suffering from viral infections, in particular HIV infection. This invention further relates to methods for the treatment of viral infections in animals by the administration of a therapeutical amount of such compounds, optionally combined with one or more other drugs having antiviral activity.

  本发明涉及一系列具有抗病毒活性的新化合物，更具体地说是具有抑制HIV（人类免疫缺陷病毒）复制的特性。本发明还涉及制备这些化合物的方法，以及在这些合成的一个或多个步骤中有用的新中间体。本发明还涉及包含有效量这些化合物作为活性成分的药物组合物。本发明还涉及将这些化合物用作药物或制造用于治疗患有病毒感染的动物，特别是HIV感染的药物的用途。本发明还涉及通过给动物施用治疗量这些化合物的方法，可选地结合一种或多种具有抗病毒活性的其他药物，治疗动物的病毒感染。
• WO2007/62677
  申请人：——

  公开号：——

  公开（公告）日：——
• US8906906B2
  申请人：——

  公开号：US8906906B2

  公开（公告）日：2014-12-09
• [EN] THIAZOLYL- AND PYRIMIDINYL-ACETIC ACIDS AND THEIR USE AS CRTH2 RECEPTOR LIGANDS<br/>[FR] ACIDES THIAZOLYL ET PYRIMIDINYL-ACETIQUES ET LEURS UTILISATIONS COMME LIGANDS DU RECEPTEUR CRTH2
  申请人：7TM PHARMA AS

  公开号：WO2007062677A1

  公开（公告）日：2007-06-07

  [EN] [2-[Bis-(4-fluoro-phenyl)methyl]-4-(2-methylpyridin-4-yl)thiazol-5-yl]acetic acid, 4-(2­aminopyridin-4-yl)-2-[bis-(4-fluorophenyl)methyl]thiazol-5-yl}acetic acid, [2-[bis-(4-fluoro­phenyl)-methyl]-4-(3-fluoro-phenyl)-pyrimidin-5-yl]acetic acid, and salts, hydrates and solvates thereof are ligands of the CRTH2 receptor, and of value for the treatment of, inter alia, asthma, rhinitis, allergic airway syndrome, or allergic rhinobronchitis.
  [FR] Acide [2-[Bis-(4-fluoro-phényl)méthyl]-4-(2-méthylpyridin-4-yl)thiazol-5-yl]acétique, acide 4-(2-aminopyridin-4-yl)-2-[bis-(4-fluorophényl)méthyl]thiazol-5-yl}acétique, acide [2-[bis-(4-fluoro-phényl)-méthyl]-4-(3-fluoro-phényl)-pyrimidin-5-yl]acétique, y compris leurs sels, hydrates et solvates, à la fois comme ligands du récepteur CRTH2, et comme produits utiles pour le traitement, entre autres, de l'asthme, de la rhinite, du syndrome allergique des voies respiratoires, ou de la rhino-bronchite allergique.