tert-butyl 4-(4-(((1r,4r)-4-hydroxycyclohexyl)carbamoyl)phenyl)piperazine-1-carboxylate | 1149367-38-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tert-butyl 4-(4-(((1r,4r)-4-hydroxycyclohexyl)carbamoyl)phenyl)piperazine-1-carboxylate
• CAS: 1149367-38-3
• 化学式: C₂₂H₃₃N₃O₄
• 分子量: 403.522
• InChiKey: KLUXSYQUVHQEFJ-UAPYVXQJSA-N

物化性质

• 沸点：
  605.7±55.0 °C(predicted)
• 密度：
  1.21±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.78
• 重原子数：
  29.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  82.11
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  tert-butyl 4-[4-(chlorocarbonyl)phenyl]piperazine-1-carboxylate 、 trans-4-Aminocyclohexanol 在 N-甲基吗啉 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 tert-butyl 4-(4-(((1r,4r)-4-hydroxycyclohexyl)carbamoyl)phenyl)piperazine-1-carboxylate
  参考文献：
  名称：

  Synthesis and SAR of piperazinyl-N-phenylbenzamides as inhibitors of hepatitis C virus RNA replication in cell culture

  摘要：

  The RNA replication machinery of HCV is a multi-subunit membrane-associated complex. NS5A has emerged as an active component of HCV replicase, possibly involved in regulation of viral replication and resistance to the antiviral effect of interferon. We report here substituted piperazinyl-N-(aryl)benzamides as potent inhibitors of HCV replication exerted via modulation of the dimerization of NS5A. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.066

文献信息

• Synthesis and SAR of piperazinyl-N-phenylbenzamides as inhibitors of hepatitis C virus RNA replication in cell culture
  作者：Immacolata Conte、Claudio Giuliano、Caterina Ercolani、Frank Narjes、Uwe Koch、Michael Rowley、Sergio Altamura、Raffaele De Francesco、Petra Neddermann、Giovanni Migliaccio、Ian Stansfield

  DOI：10.1016/j.bmcl.2009.01.066

  日期：2009.3

  The RNA replication machinery of HCV is a multi-subunit membrane-associated complex. NS5A has emerged as an active component of HCV replicase, possibly involved in regulation of viral replication and resistance to the antiviral effect of interferon. We report here substituted piperazinyl-N-(aryl)benzamides as potent inhibitors of HCV replication exerted via modulation of the dimerization of NS5A. (C) 2009 Elsevier Ltd. All rights reserved.