6-morpholinospiro[chromane-2,4'-piperidin]-4-one hydrochloride | 1131679-47-4

• 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: 6-morpholinospiro[chromane-2,4'-piperidin]-4-one hydrochloride
• CAS: 1131679-47-4
• 化学式: C₁₇H₂₂N₂O₃*ClH
• 分子量: 338.834
• InChiKey: YUEAGMYSMHTBOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  23.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  50.8
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  吩噻嗪-10-碳酰氯 、 6-morpholinospiro[chromane-2,4'-piperidin]-4-one hydrochloride 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 6-morpholin-4-yl-1'-(phenothiazine-10-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
  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：

  在 盐酸 作用下， 以 乙腈 为溶剂， 生成 6-morpholinospiro[chromane-2,4'-piperidin]-4-one hydrochloride
  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