1'-acetyl-7-hydroxyspiro[chromene-2,4'-piperidin]-4(3H)-one | 924775-34-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 1'-acetyl-7-hydroxyspiro[chromene-2,4'-piperidin]-4(3H)-one
• 英文别名: 1'-acetyl-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one
• CAS: 924775-34-8
• 化学式: C₁₅H₁₇NO₄
• mdl: MFCD10040039
• 分子量: 275.304
• InChiKey: NYDZDLACUVHREM-UHFFFAOYSA-N

物化性质

• 沸点：
  545.7±50.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为产物：
  描述：

  7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one 、 乙酸酐 生成 1'-acetyl-7-hydroxyspiro[chromene-2,4'-piperidin]-4(3H)-one
  参考文献：
  名称：

  Discovery of Novel Benzopyranyl Tetracycles that Act as Inhibitors of Osteoclastogenesis Induced by Receptor Activator of NF-κB Ligand

  摘要：

  A novel benzopyran-fused molecular framework 7ai was discovered as a specific inhibitor of RANKL-induced osteoclastogenesis using a cell-based TRAP activity assay from drug-like small-molecule libraries constructed by diversity-oriented synthesis. Its inhibitory activity was confirmed by in vitro evaluations including specific inhibition of RANKL-induced ERK phosphorylation and NF-kappa B transcriptional activation. 7ai can serve as a specific small-molecule modulator for mechanistic studies of RANKL-induced osteoclast differentiation as well as a potential lead for the development of antiresorptive drugs.

  DOI：

  10.1021/jm1011269

文献信息

• Discovery of Novel Benzopyranyl Tetracycles that Act as Inhibitors of Osteoclastogenesis Induced by Receptor Activator of NF-κB Ligand
  作者：Mingyan Zhu、Myung Hee Kim、Sanghee Lee、Su Jung Bae、Seong Hwan Kim、Seung Bum Park

  DOI：10.1021/jm1011269

  日期：2010.12.23

  A novel benzopyran-fused molecular framework 7ai was discovered as a specific inhibitor of RANKL-induced osteoclastogenesis using a cell-based TRAP activity assay from drug-like small-molecule libraries constructed by diversity-oriented synthesis. Its inhibitory activity was confirmed by in vitro evaluations including specific inhibition of RANKL-induced ERK phosphorylation and NF-kappa B transcriptional activation. 7ai can serve as a specific small-molecule modulator for mechanistic studies of RANKL-induced osteoclast differentiation as well as a potential lead for the development of antiresorptive drugs.