N,2-dicyclohexyl-2-(2-(pyridin-4-yl)-1H-benzo[d]imidazol-1-yl)acetamide | 1266357-66-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: N,2-dicyclohexyl-2-(2-(pyridin-4-yl)-1H-benzo[d]imidazol-1-yl)acetamide
• 英文别名: N,2-dicyclohexyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)acetamide
• CAS: 1266357-66-7
• 化学式: C₂₆H₃₂N₄O
• 分子量: 416.566
• InChiKey: JWYJJTYZBIQOGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  59.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  tert-butyl (2-(N-(1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl)isonicotinamido)phenyl)carbamate 在 三氟乙酸 作用下， 生成 N,2-dicyclohexyl-2-(2-(pyridin-4-yl)-1H-benzo[d]imidazol-1-yl)acetamide
  参考文献：
  名称：

  Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia & diabetes

  摘要：

  Herein we describe the synthesis and structure activity relationship of a new class of FXR agonists identified from a high-throughput screening campaign. Further optimization of the original hits led to molecules that were highly active in an LDL-receptor KO model for dyslipidemia. The most promising candidate is discussed in more detail. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.039

文献信息

• Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia & diabetes
  作者：Hans G.F. Richter、Gregory M. Benson、Denise Blum、Evelyne Chaput、Song Feng、Christophe Gardes、Uwe Grether、Peter Hartman、Bernd Kuhn、Rainer E. Martin、Jean-Marc Plancher、Markus G. Rudolph、Franz Schuler、Sven Taylor、Konrad H. Bleicher

  DOI：10.1016/j.bmcl.2010.11.039

  日期：2011.1

  Herein we describe the synthesis and structure activity relationship of a new class of FXR agonists identified from a high-throughput screening campaign. Further optimization of the original hits led to molecules that were highly active in an LDL-receptor KO model for dyslipidemia. The most promising candidate is discussed in more detail. (C) 2010 Elsevier Ltd. All rights reserved.