7-methoxy-3-[(7-methoxy-4-oxo-2-piperidin-1-ylchromen-3-yl)methyl]-2-piperidin-1-ylchromen-4-one | 623574-60-7

• 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: 7-methoxy-3-[(7-methoxy-4-oxo-2-piperidin-1-ylchromen-3-yl)methyl]-2-piperidin-1-ylchromen-4-one
• CAS: 623574-60-7
• 化学式: C₃₁H₃₄N₂O₆
• 分子量: 530.621
• InChiKey: CLHQOQDNBJYHEX-UHFFFAOYSA-N

物化性质

• 熔点：
  176-177 °C(Solv: ethyl acetate (141-78-6))
• 沸点：
  683.8±55.0 °C(Predicted)
• 密度：
  1.293±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  39.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  85.36
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  7-methoxy-3-[(7-methoxy-4-oxo-2-piperidin-1-ylchromen-3-yl)methyl]-2-piperidin-1-ylchromen-4-one 在 吡啶 、 sodium hydroxide 、 盐酸羟胺 作用下， 以 乙醇 为溶剂， 反应 26.0h， 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：

  2-(1-piperidinyl)-7-methoxychromone 、 3,3'-(piperazine-1,4-diylbis(methylene))bis(7-methoxy-2-(piperidin-1-yl)-4H-chromen-4-one) 在 乙酸酐 作用下， 反应 1.5h， 以70.5%的产率得到7-methoxy-3-[(7-methoxy-4-oxo-2-piperidin-1-ylchromen-3-yl)methyl]-2-piperidin-1-ylchromen-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