(S)-1-{6-[(4-Nitro-phenyl)-(phthalazin-1-yl-hydrazono)-methyl]-benzo[1,3]dioxol-5-yl}-propan-2-ol | 211732-79-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: (S)-1-{6-[(4-Nitro-phenyl)-(phthalazin-1-yl-hydrazono)-methyl]-benzo[1,3]dioxol-5-yl}-propan-2-ol
• CAS: 211732-79-5
• 化学式: C₂₅H₂₁N₅O₅
• 分子量: 471.472
• InChiKey: PMYHGEBWYINGTQ-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.05
• 重原子数：
  35.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  132.0
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (S)-1-{6-[(4-Nitro-phenyl)-(phthalazin-1-yl-hydrazono)-methyl]-benzo[1,3]dioxol-5-yl}-propan-2-ol 在 palladium on activated charcoal sodium hydroxide 、 potassium formate 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 异丙醇 为溶剂， 生成 (R)-7-(1-phthalazinyl)-8,9-dihydro-8-methyl-5-(4-aminophenyl)-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine
  参考文献：
  名称：

  Synthesis and anticonvulsant activity of 3-aryl-5H-2,3-benzodiazepine ampa antagonists

  摘要：

  A novel series of 3-aryl-5H-2,3-benzodiazepines. with N-3 aromatic substituents has been synthesized. Good in vivo anticonvulsant activity of the new compounds has been demonstrated employing the maximal electroshock seizure test in mice. Evaluation of a subset of the compounds in the cortical wedge assay confirmed the new structures to be AMPA antagonists. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00315-7
• 作为产物：
  描述：

  1-hydrazinophthalazine 、 (5RS,7S)-7,8-dihydro-7-methyl-5-(4-nitrophenyl)-5H-1,3-dioxolo[4,5-G][2]benzopyran-5-ol 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 (S)-1-{6-[(4-Nitro-phenyl)-(phthalazin-1-yl-hydrazono)-methyl]-benzo[1,3]dioxol-5-yl}-propan-2-ol
  参考文献：
  名称：

  Synthesis and anticonvulsant activity of 3-aryl-5H-2,3-benzodiazepine ampa antagonists

  摘要：

  A novel series of 3-aryl-5H-2,3-benzodiazepines. with N-3 aromatic substituents has been synthesized. Good in vivo anticonvulsant activity of the new compounds has been demonstrated employing the maximal electroshock seizure test in mice. Evaluation of a subset of the compounds in the cortical wedge assay confirmed the new structures to be AMPA antagonists. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00315-7