3-bromophenyl bicyclohexane-1-one

• 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: 3-bromophenyl bicyclohexane-1-one
• 英文别名: 5-(3-Bromophenyl)bicyclo[3.1.0]hexan-2-one
• 化学式: C₁₂H₁₁BrO
• 分子量: 251.123
• InChiKey: YHMMVRUMRJBEHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-bromophenyl bicyclohexane-1-one 在 titanium(IV) isopropylate 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Novel aminobenzimidazoles as selective MCH-R1 antagonists for the treatment of metabolic diseases

  摘要：

  A series of novel aminobenzimidazoles was prepared and evaluated for h-MCH-R1 antagonist properties. Most of the compounds showed excellent h-MCH-R1 binding affinity as well as mouse ex vivo binding. Compounds 9 and 18 were active in mouse DIO studies at 30 mpk. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.058

文献信息

• Bicyclo[3.1.0]hexyl urea melanin concentrating hormone (MCH) receptor-1 antagonists: Impacting hERG liability via aryl modifications
  作者：Mark D. McBriar、Henry Guzik、Sherry Shapiro、Ruo Xu、Jaroslava Paruchova、John W. Clader、Kim O’Neill、Brian Hawes、Steve Sorota、Michael Margulis、Kristal Tucker、Daniel J. Weston、Kathleen Cox

  DOI：10.1016/j.bmcl.2006.05.069

  日期：2006.8

  Herein, we report the discovery of an effective strategy to modulate liabilities related to affinity of previously disclosed bicyclohexane MCHR-1 antagonists for the hERG channel. This paper describes one of several strategies incorporated to limit hERG binding via modifications of a terminal aryl group in an otherwise promising bicyclohexyl urea series. (c) 2006 Elsevier Ltd. All rights reserved.
• Novel aminobenzimidazoles as selective MCH-R1 antagonists for the treatment of metabolic diseases
  作者：T.K. Sasikumar、Li Qiang、Duane A. Burnett、William J. Greenlee、Brian E. Hawes、Timothy J. Kowalski、Kim O’Neill、Brian D. Spar、Blair Weig

  DOI：10.1016/j.bmcl.2006.07.058

  日期：2006.10

  A series of novel aminobenzimidazoles was prepared and evaluated for h-MCH-R1 antagonist properties. Most of the compounds showed excellent h-MCH-R1 binding affinity as well as mouse ex vivo binding. Compounds 9 and 18 were active in mouse DIO studies at 30 mpk. (c) 2006 Elsevier Ltd. All rights reserved.