1-(4-fluorophenyl)-1-phenoxy-3-chloropropane | 200004-32-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(4-fluorophenyl)-1-phenoxy-3-chloropropane
• 英文别名: 1-(3-Chloro-1-phenoxypropyl)-4-fluorobenzene
• CAS: 200004-32-6
• 化学式: C₁₅H₁₄ClFO
• 分子量: 264.727
• InChiKey: BJTCSLNVFOSKDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  咪唑 、 1-(4-fluorophenyl)-1-phenoxy-3-chloropropane 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以31%的产率得到1-[3-(4-fluorophenyl)-3-phenoxypropyl]-1H-imidazole
  参考文献：
  名称：

  1-[(3-Aryloxy-3-aryl)propyl]-1H-imidazoles, New Imidazoles with Potent Activity againstCandida albicansand Dermatophytes. Synthesis, Structure−Activity Relationship, and Molecular Modeling Studies

  摘要：

  New 1-[(3-aryloxy-3-aryl)propyl]-1H-imidazoles were synthesized and evaluated against Candida albicans and dermatophytes in order to develop structure-activity relationships (SARs). Against C. albicans the new imidazoles showed minimal inhibitory concentrations (MICs) comparable to those of ketoconazole, miconazole, and econazole, and were more potent than fluconazole. Several derivatives (10, 12, 14, 18-20, 24, 28, 29, 30, and 34) turned out to be potent inhibitors of C. albicans strains resistant to fluconazole, with MIC values less than 10 mu g/mL. Against dermatophytes strains, compounds 20, 25, and 33 (MIC <= 5 mu g/mL) were equipotent to ketoconazole, econazole, and miconazole. SARs of imidazoles 10-44 were rationalized with reasonable accuracy by a previously developed quantitative pharmacophore for antifungal agents.

  DOI：

  10.1021/jm800009r
• 作为产物：
  描述：

  (-)-3-chloro-1-(4-fluorophenyl)propan-1-ol 、 苯酚 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 以98%的产率得到1-(4-fluorophenyl)-1-phenoxy-3-chloropropane
  参考文献：
  名称：

  1-[(3-Aryloxy-3-aryl)propyl]-1H-imidazoles, New Imidazoles with Potent Activity againstCandida albicansand Dermatophytes. Synthesis, Structure−Activity Relationship, and Molecular Modeling Studies

  摘要：

  New 1-[(3-aryloxy-3-aryl)propyl]-1H-imidazoles were synthesized and evaluated against Candida albicans and dermatophytes in order to develop structure-activity relationships (SARs). Against C. albicans the new imidazoles showed minimal inhibitory concentrations (MICs) comparable to those of ketoconazole, miconazole, and econazole, and were more potent than fluconazole. Several derivatives (10, 12, 14, 18-20, 24, 28, 29, 30, and 34) turned out to be potent inhibitors of C. albicans strains resistant to fluconazole, with MIC values less than 10 mu g/mL. Against dermatophytes strains, compounds 20, 25, and 33 (MIC <= 5 mu g/mL) were equipotent to ketoconazole, econazole, and miconazole. SARs of imidazoles 10-44 were rationalized with reasonable accuracy by a previously developed quantitative pharmacophore for antifungal agents.

  DOI：

  10.1021/jm800009r

文献信息

• [EN] PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS<br/>[FR] PRODUIT PHARMACEUTIQUE POUR LE TRAITEMENT DE TROUBLES NEUROLOGIQUES ET NEUROPSYCHIATRIQUES
  申请人：TROPHIX PHARMACEUTICALS, INC.

  公开号：WO1997045115A1

  公开（公告）日：1997-12-04

  (EN) The invention provides a pharmaceutical for treatment of neurological and neuropsychiatric disorders comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof.(FR) Cette invention concerne un produit pharmaceutique destiné au traitement de troubles neurologiques ou neuropsychiatriques. Ledit produit pharmaceutique comprend un composé ayant la formule (I) ou un sel pharmaceutiquement acceptable dudit composé.

  该发明提供了一种用于治疗神经和神经精神障碍的药物，包括公式(I)的化合物或其药学上可接受的盐。
• Pharmaceutical for treatment of neurological and neuropsychiatric disorders
  申请人：Ognyanov Iliya Vassil

  公开号：US20060287298A1

  公开（公告）日：2006-12-21

  The invention provides a pharmaceutical for treatment of neurological and neuropsychiatric disorders comprising a compound of the formula: or a pharmaceutically acceptable salt thereof.

  该发明提供了一种用于治疗神经和神经精神疾病的药物，包括以下化合物或其药学上可接受的盐：(图片无法显示，请见谅)。
• PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS
  申请人：Allelix Neuroscience Inc.

  公开号：EP1014966A1

  公开（公告）日：2000-07-05
• EP1014966A4
  申请人：——

  公开号：EP1014966A4

  公开（公告）日：2001-10-04
• US7019024B2
  申请人：——

  公开号：US7019024B2

  公开（公告）日：2006-03-28