5-(3-benzyloxyphenyl)-3-methyl-6-propyl-5,6,7,8-tetrahydro-3H-1-oxa-3,6-diaza-benz[f]inden-2-one hydrochloride | 1201771-82-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 5-(3-benzyloxyphenyl)-3-methyl-6-propyl-5,6,7,8-tetrahydro-3H-1-oxa-3,6-diaza-benz[f]inden-2-one hydrochloride
• CAS: 1201771-82-5
• 化学式: C₂₇H₂₈N₂O₃*ClH
• 分子量: 464.992
• InChiKey: OZJMAWLTQQCVJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  33.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  47.61
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-(3-benzyloxyphenyl)-3-methyl-6-propyl-5,6,7,8-tetrahydro-3H-1-oxa-3,6-diaza-benz[f]inden-2-one hydrochloride 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 5-(3-hydroxyphenyl)-3-methyl-6-propyl-5,6,7,8-tetrahydro-3H-1-thia-3,6-diaza-benz[f]inden-2-one
  参考文献：
  名称：

  Antioxidant activity of benzoxazolinonic and benzothiazolinonic derivatives in the LDL oxidation model

  摘要：

  A series of benzazolone compounds were synthesized utilizing benzoxazolinonic and benzothiazolinonic heterocycles as the building unit. The antioxidant activity of these compounds was determined by inhibition of lipid peroxidation. The oxidation of LDL was induced in the presence of CuSO4 or 2,2'-azobis (2-amidinopropane) dihydrochloride (AAPH). The protective action of these compounds against the cytotoxicity was evaluated with lactate dehydrogenase (LDH) activity in bovine aortic endothelial cells (BAECs) and cellular vitality by measuring mitochondrial activity in the presence of MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide). The best antioxidant activities were observed for phenolic compounds 13 and 14b with ratio R = 2.5, 3.2 (5 mu M). Both of these test substances increased the cell viability significantly as indicated by MTT assay and LDH release assay. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.09.016
• 作为产物：
  描述：

  5-(3-benzyloxyphenyl)-3-methyl-6-propyl-5,6,7,8-tetrahydro-3H-1-oxa-3,6-diaza-benz[f]inden-2-one 在 盐酸 作用下， 以 乙醚 、 乙酸乙酯 为溶剂， 生成 5-(3-benzyloxyphenyl)-3-methyl-6-propyl-5,6,7,8-tetrahydro-3H-1-oxa-3,6-diaza-benz[f]inden-2-one hydrochloride
  参考文献：
  名称：

  Antioxidant activity of benzoxazolinonic and benzothiazolinonic derivatives in the LDL oxidation model

  摘要：

  A series of benzazolone compounds were synthesized utilizing benzoxazolinonic and benzothiazolinonic heterocycles as the building unit. The antioxidant activity of these compounds was determined by inhibition of lipid peroxidation. The oxidation of LDL was induced in the presence of CuSO4 or 2,2'-azobis (2-amidinopropane) dihydrochloride (AAPH). The protective action of these compounds against the cytotoxicity was evaluated with lactate dehydrogenase (LDH) activity in bovine aortic endothelial cells (BAECs) and cellular vitality by measuring mitochondrial activity in the presence of MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide). The best antioxidant activities were observed for phenolic compounds 13 and 14b with ratio R = 2.5, 3.2 (5 mu M). Both of these test substances increased the cell viability significantly as indicated by MTT assay and LDH release assay. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.09.016