(4-Cyclobutyl-[1,4]diazepan-1-yl)-[4-(4-fluoro-phenoxy)-pyridin-2-yl]-methanone | 1153654-53-5

• 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)-[4-(4-fluoro-phenoxy)-pyridin-2-yl]-methanone
• 英文别名: (4-Cyclobutyl-1,4-diazepan-1-yl)(4-(4-fluorophenoxy)pyridin-2-yl)methanone；(4-cyclobutyl-1,4-diazepan-1-yl)-[4-(4-fluorophenoxy)pyridin-2-yl]methanone
• CAS: 1153654-53-5
• 化学式: C₂₁H₂₄FN₃O₂
• 分子量: 369.439
• InChiKey: MGIDQCADHHKJOI-UHFFFAOYSA-N

物化性质

• 沸点：
  522.8±50.0 °C(predicted)
• 密度：
  1.248±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 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：
  5

反应信息

• 作为产物：
  描述：

  4-氟苯酚 、 (4-bromo-pyridin-2-yl)-(4-cyclobutyl-[1,4]diazepan-1-yl)-methanone 在 caesium carbonate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 3.0h， 生成 (4-Cyclobutyl-[1,4]diazepan-1-yl)-[4-(4-fluoro-phenoxy)-pyridin-2-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
• Pre-clinical characterization of aryloxypyridine amides as histamine H3 receptor antagonists: Identification of candidates for clinical development
  作者：Michael A. Letavic、Leah Aluisio、John R. Atack、Pascal Bonaventure、Nicholas I. Carruthers、Christine Dugovic、Anita Everson、Mark A. Feinstein、Ian C. Fraser、Kenway Hoey、Xiaohui Jiang、John M. Keith、Tatiana Koudriakova、Perry Leung、Brian Lord、Timothy W. Lovenberg、Kiev S. Ly、Kirsten L. Morton、S. Timothy Motley、Diane Nepomuceno、Michele Rizzolio、Raymond Rynberg、Kia Sepassi、Jonathan Shelton

  DOI：10.1016/j.bmcl.2010.05.041

  日期：2010.7

  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.