2,2-Bis-(4-fluorophenyl)acetamidine | 939437-30-6

• 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: 2,2-Bis-(4-fluorophenyl)acetamidine
• 英文别名: 2,2-Bis(4-fluorophenyl)ethanimidamide
• CAS: 939437-30-6
• 化学式: C₁₄H₁₂F₂N₂
• 分子量: 246.259
• InChiKey: SEOOZOHAQDSGDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  49.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,2-Bis-(4-fluorophenyl)acetamidine 、 3-Bromo-4-(4-fluorophenyl)-4-oxo-butyric acid methyl ester 在 potassium hydrogencarbonate 作用下， 以 四氢呋喃 为溶剂， 生成
  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
• 作为产物：
  描述：

  2,2-bis(4-fluorophenyl)acetonitrile 在 三甲基铝 、 氯化铵 作用下， 以 甲苯 为溶剂， 反应 74.0h， 以96%的产率得到2,2-Bis-(4-fluorophenyl)acetamidine
  参考文献：
  名称：

  WO2007/62677

  摘要：

  公开号：

文献信息

• WO2007/62677
  申请人：——

  公开号：——

  公开（公告）日：——
• [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.
• Exploration of SAR features by modifications of thiazoleacetic acids as CRTH2 antagonists
  作者：Marie Grimstrup、Jean-Marie Receveur、Øystein Rist、Thomas M. Frimurer、Peter Aadal Nielsen、Jesper M. Mathiesen、Thomas Högberg

  DOI：10.1016/j.bmcl.2010.01.092

  日期：2010.3

  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.