(4-Cyclobutyl-[1,4]diazepan-1-yl)-(5-phenoxy-pyridin-3-yl)-methanone | 1153654-43-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4-Cyclobutyl-[1,4]diazepan-1-yl)-(5-phenoxy-pyridin-3-yl)-methanone
• 英文别名: (4-Cyclobutyl-1,4-diazepan-1-yl)(5-phenoxypyridin-3-yl)methanone；(4-cyclobutyl-1,4-diazepan-1-yl)-(5-phenoxypyridin-3-yl)methanone
• CAS: 1153654-43-3
• 化学式: C₂₁H₂₅N₃O₂
• 分子量: 351.448
• InChiKey: HUILBBZJFPPXMQ-UHFFFAOYSA-N

物化性质

• 沸点：
  523.4±50.0 °C(predicted)
• 密度：
  1.204±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  45.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (5-bromo-pyridin-3-yl)-(4-cyclobutyl-[1,4]diazepan-1-yl)-methanone 、 苯酚 在 caesium carbonate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 2.0h， 生成 (4-Cyclobutyl-[1,4]diazepan-1-yl)-(5-phenoxy-pyridin-3-yl)-methanone
  参考文献：
  名称：

  Pre-clinical characterization of aryloxypyridine amides as histamine H3 receptor antagonists: Identification of candidates for clinical development

  摘要：

  The pre-clinical characterization of novel aryloxypyridine amides that are histamine H-3 receptor antagonists is described. These compounds are high affinity histamine H-3 ligands that penetrate the CNS and occupy the histamine H-3 receptor in rat brain. Several compounds were extensively pro. led pre-clinically leading to the identification of two compounds suitable for nomination as development candidates. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.05.041

文献信息

• SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR
  申请人：Letavic Michael A.

  公开号：US20090131417A1

  公开（公告）日：2009-05-21

  Certain substituted pyridyl amide compounds are histamine H 3 receptor modulators useful in the treatment of histamine H 3 receptor-mediated diseases.

  某些取代吡啶酰胺化合物是组胺H3受体调节剂，可用于治疗组胺H3受体介导的疾病。
• [EN] SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR<br/>[FR] COMPOSÉS PYRIDYLAMIDE SUBSTITUÉS COMME MODULATEURS DU RÉCEPTEUR H3 DE L'HISTAMINE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2009067406A1

  公开（公告）日：2009-05-28

  Certain substituted pyridyl amide compounds of formula I are histamine H3 receptor modulators useful in the treatment of histamine H3 receptor -mediated diseases