N-[2-[(2S)-2-amino-3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy]-4-hydroxyphenyl]acetamide | 857264-52-9

• 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: N-[2-[(2S)-2-amino-3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy]-4-hydroxyphenyl]acetamide
• CAS: 857264-52-9
• 化学式: C₂₃H₂₉N₃O₄
• 分子量: 411.501
• InChiKey: VGIMKOQYMXCKHI-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  97
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  C₂₄H₃₁N₃O₄ 在 三溴化硼 作用下， 以40%的产率得到N-[2-[(2S)-2-amino-3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy]-4-hydroxyphenyl]acetamide
  参考文献：
  名称：

  Spirocyclic compounds, potent CCR1 antagonists

  摘要：

  Conformationally constrained spirocycles (17-23) and (31-36) were synthesised. In vitro data revealed that these compounds are CCR1 antagonists with sub-nanomolar potency. In a functional assay 22, 23 and 36 inhibited CCR1 mediated chemotaxis with an IC50 value of 2, 2.6 and 68 nM, respectively. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.12.095

文献信息

• Spirocyclic compounds, potent CCR1 antagonists
  作者：Nafizal Hossain、Svetlana Ivanova、Jonas Bergare、Tomas Eriksson

  DOI：10.1016/j.bmcl.2012.12.095

  日期：2013.3

  Conformationally constrained spirocycles (17-23) and (31-36) were synthesised. In vitro data revealed that these compounds are CCR1 antagonists with sub-nanomolar potency. In a functional assay 22, 23 and 36 inhibited CCR1 mediated chemotaxis with an IC50 value of 2, 2.6 and 68 nM, respectively. (C) 2013 Elsevier Ltd. All rights reserved.