tert-butyl (S)-6-(3-(1,3-dioxoisoindolin-2-yl)but-1-yn-1-yl)-4-oxospiro[chromane-2,4'-piperidine]-1'-carboxylate | 1131679-68-9

• 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: tert-butyl (S)-6-(3-(1,3-dioxoisoindolin-2-yl)but-1-yn-1-yl)-4-oxospiro[chromane-2,4'-piperidine]-1'-carboxylate
• CAS: 1131679-68-9
• 化学式: C₃₀H₃₀N₂O₆
• 分子量: 514.578
• InChiKey: DBFRMAPFZNDGAO-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.46
• 重原子数：
  38.0
• 可旋转键数：
  1.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  93.22
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (S)-6-(3-(1,3-dioxoisoindolin-2-yl)but-1-yn-1-yl)-4-oxospiro[chromane-2,4'-piperidine]-1'-carboxylate 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Synthesis of spiro[chroman-2,4′-piperidin]-4-one derivatives as acetyl-CoA carboxylase inhibitors

  摘要：

  Various spiro[chroman-2,4'-piperidin]-4-one derivatives (38a-m and 43a-j) have been designed, synthesized and evaluated for in vitro acetyl-CoA carboxylase (ACC) inhibitory activity. Several compounds have shown ACC inhibitory activity in low nanomolar range. Compound 38j reduced the respiratory quotient (RQ) in C57BL/6J mice indicating increase in whole body fat oxidation even in the presence of high carbohydrate diet. Structure-activity relationship (SAR) has been discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.099
• 作为产物：
  描述：

  (S)-2-(but-3-yn-2-yl)isoindoline-1,3-dione 、 6-溴-4-氧代螺[苯并二氢吡喃-2,4-哌啶]-1-羧酸叔丁酯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 生成 tert-butyl (S)-6-(3-(1,3-dioxoisoindolin-2-yl)but-1-yn-1-yl)-4-oxospiro[chromane-2,4'-piperidine]-1'-carboxylate
  参考文献：
  名称：

  Synthesis of spiro[chroman-2,4′-piperidin]-4-one derivatives as acetyl-CoA carboxylase inhibitors

  摘要：

  Various spiro[chroman-2,4'-piperidin]-4-one derivatives (38a-m and 43a-j) have been designed, synthesized and evaluated for in vitro acetyl-CoA carboxylase (ACC) inhibitory activity. Several compounds have shown ACC inhibitory activity in low nanomolar range. Compound 38j reduced the respiratory quotient (RQ) in C57BL/6J mice indicating increase in whole body fat oxidation even in the presence of high carbohydrate diet. Structure-activity relationship (SAR) has been discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.099