5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)-1-pentanol | 955360-13-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)-1-pentanol
• 英文别名: 5-(4-{[3-(hexahydro-1H-azepin-1-yl)propyl]oxy}phenyl)-1-pentanol；5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol
• CAS: 955360-13-1
• 化学式: C₂₀H₃₃NO₂
• 分子量: 319.488
• InChiKey: MQACZBJZLGYOPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)-1-pentanol 在 碳酸氢钠 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 147.0h， 生成 4-[(4-chlorophenyl)methyl]-2-{[(2R)-1-[5-[4-{3-(hexahydro-1H-azepin-1-yl)propoxy}phenyl]pentyl]-2-pyrrolidinyl]methyl}-1(2H)-phthalazinone
  参考文献：
  名称：

  The Discovery of Phthalazinone-Based Human H₁ and H₃ Single-Ligand Antagonists Suitable for Intranasal Administration for the Treatment of Allergic Rhinitis

  摘要：

  A series of potent phthalazinone-based human H-1 and H-3 bivalent histamine receptor antagonists, suitable for intranasal administration for the potential treatment of allergic rhinitis, were identified. Blockade of H-3 receptors is thought to improve efficacy on nasal congestion, a symptom of allergic rhinitis that is currently not treated by current antihistamines. Two analogues (56a and 56b) had slightly lower H-1, potency (pA(2) 9.1 and 8.9, respectively, vs 9.7 for the clinical gold-standard azelastine, and H-3 potency (pK(i) 9.6 and 9.5, respectively, vs 6.8 for azelastine). Compound 56a had longer duration of action than azelastine, low brain penetration, and low oral bioavailability, which coupled with the predicted low clinical dose, should limit the potential of engaging CNS-related side-effects associated with H-1 or H-3 antagonism.

  DOI：

  10.1021/jm1013874
• 作为产物：
  描述：

  5-(4-羟基苯基)戊酸甲酯 在 lithium aluminium tetrahydride 、 偶氮二甲酸二叔丁酯 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 49.44h， 生成 5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)-1-pentanol
  参考文献：
  名称：

  WO2007/122156

  摘要：

  公开号：

文献信息

• COMPOUNDS
  申请人：GORE Martin Paul

  公开号：US20080039444A1

  公开（公告）日：2008-02-14

  The present invention relates to compounds of formula (I), and salts thereof, processes for their preparation, to compositions containing them and to their use in the treatment of various disorders, such as allergic rhinitis.

  本发明涉及式(I)化合物及其盐，其制备过程，含有它们的组合物以及它们在治疗各种疾病（如过敏性鼻炎）中的用途。
• 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists
  申请人：Gore Paul Martin

  公开号：US20090105225A1

  公开（公告）日：2009-04-23

  The present invention relates to compounds of formula (I), and salts thereof, processes for their preparation, to compositions containing them and to their use in the treatment of various disorders, such as allergic rhinitis.

  本发明涉及公式(I)的化合物及其盐，其制备方法，含有它们的组合物以及它们在治疗各种疾病，如过敏性鼻炎中的应用。
• 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS
  申请人：Glaxo Group Limited

  公开号：EP2007735A1

  公开（公告）日：2008-12-31
• [EN] 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE HL AND H3 ANTAGONISTS<br/>[FR] DERIVES DE 4-BENZYLPHTALAZINONE SUBSTITUES EN 2 EN TANT QU'ANTAGONISTES DES HISTAMINES HL ET H3
  申请人：GLAXO GROUP LTD

  公开号：WO2007122156A1

  公开（公告）日：2007-11-01

  [EN] The present invention relates to compounds of formula (I), and salts thereof, processes for their preparation, to compositions containing them and to their use in the treatment of various disorders, such as allergic rhinitis.
  [FR] La présente invention concerne des composés de formule (I) et leurs sels, leurs procédés de préparation, les compositions qui les contiennent et leur utilisation dans le traitement de diverses affections telles que la rhinite allergique.
• [EN] 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS<br/>[FR] DERIVES DE 4-BENZYLPHTALAZINONE SUBSTITUES EN 2 EN TANT QU'ANTAGONISTES DES HISTAMINES HL ET H3
  申请人：GLAXO GROUP LTD

  公开号：WO2007122156A9

  公开（公告）日：2008-01-24

  [EN] The present invention relates to compounds of formula (I), and salts thereof, processes for
  [FR] La présente invention concerne des composés de formule (I) et leurs sels, leurs p