3,3'-(piperazine-1,4-diylbis(methylene))bis(7-methoxy-2-(piperidin-1-yl)-4H-chromen-4-one) | 623574-59-4

• 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: 3,3'-(piperazine-1,4-diylbis(methylene))bis(7-methoxy-2-(piperidin-1-yl)-4H-chromen-4-one)
• CAS: 623574-59-4
• 化学式: C₃₆H₄₄N₄O₆
• 分子量: 628.769
• InChiKey: PLBIIFFXCNQPTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.22
• 重原子数：
  46.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  91.84
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  3,3'-(piperazine-1,4-diylbis(methylene))bis(7-methoxy-2-(piperidin-1-yl)-4H-chromen-4-one) 在 吡啶 、 盐酸羟胺 、 乙酸酐 、 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.5h， 生成
  参考文献：
  名称：

  Synthesis of 3,3′-(1-piperidino)substituted methylene-bis-isoxazoles preventing stimulus-induced leukocytes activation

  摘要：

  Some 3,3'-(1-piperidino)substituted methylene-bis-isoxazoles were prepared via Mannich base and tested to verify their antiinflammatory-related activity. Human neutrophils stimulated with either PMA and f-MLP were used as the cellular model. The efficiency of eight differently substituted compounds (2-9) was established on their capacity to reduce the O(2)(-) production by activated human neutrophils. The rising hydrophobicity in the side-chain of methylene-bis-isoxazoles leads to a distinction in the neutrophil response against the two stimuli, favoring the inhibition of the PMA elicited cell activation and leaving inaffected the f-MLP induced cell responses. Compounds 8 and 9 are particularly active and abolish almost completely the neutrophil activation in the presence of PMA stimulus.

  DOI：

  10.1016/s0014-827x(02)00008-3
• 作为产物：
  描述：

  哌嗪 、 聚合甲醛 、 2-(1-piperidinyl)-7-methoxychromone 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以75.6%的产率得到3,3'-(piperazine-1,4-diylbis(methylene))bis(7-methoxy-2-(piperidin-1-yl)-4H-chromen-4-one)
  参考文献：
  名称：

  Synthesis of 3,3′-(1-piperidino)substituted methylene-bis-isoxazoles preventing stimulus-induced leukocytes activation

  摘要：

  Some 3,3'-(1-piperidino)substituted methylene-bis-isoxazoles were prepared via Mannich base and tested to verify their antiinflammatory-related activity. Human neutrophils stimulated with either PMA and f-MLP were used as the cellular model. The efficiency of eight differently substituted compounds (2-9) was established on their capacity to reduce the O(2)(-) production by activated human neutrophils. The rising hydrophobicity in the side-chain of methylene-bis-isoxazoles leads to a distinction in the neutrophil response against the two stimuli, favoring the inhibition of the PMA elicited cell activation and leaving inaffected the f-MLP induced cell responses. Compounds 8 and 9 are particularly active and abolish almost completely the neutrophil activation in the presence of PMA stimulus.

  DOI：

  10.1016/s0014-827x(02)00008-3