1-(3-methoxyphenyl)piperidin-4-amine dihydrochloride | 1188264-06-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(3-methoxyphenyl)piperidin-4-amine dihydrochloride
• 英文别名: 1-(3-Methoxyphenyl)piperidin-4-amine;hydrochloride
• CAS: 1188264-06-3
• 化学式: C₁₂H₁₈N₂O*2ClH
• 分子量: 279.21
• InChiKey: WIPHDCVDIMYKQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.04
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,5-二甲基异氰酸苯酯 、 1-(3-methoxyphenyl)piperidin-4-amine dihydrochloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以76 %的产率得到1-(2,5-dimethylphenyl)-3-(1-(3-methoxyphenyl)piperidin-4-yl)urea
  参考文献：
  名称：

  [EN] COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE
  [FR] COMPOSÉS CONTENANT UNE FRACTION HYDROXYPHÉNYLE ET LEUR UTILISATION

  摘要：

  The inventors have succeeded in developing urea, oxalamide, amide, thiourea, carbamate or ester compounds, in particular urea compounds, bearing two side groups, one of which carries a hydroxyphenyl or phenyl moiety, in particular a hydroxyphenyl moiety. These compounds have the advantage of inhibiting IRE1 RNase activity and sensitizing cancer cells, in particular GB cells, to chemotherapy. The present invention relates to urea, oxalamide, amide, thiourea, carbamate or ester compounds, in particular urea compounds containing a hydroxyphenyl or phenyl moiety, in particular a hydroxyphenyl moiety, including their pharmaceutically acceptable salts and solvates which are useful as sensitizers for chemotherapy of cancer cells, particularly in glioblastoma, and are useful as therapeutic compounds, particularly in the treatment of cancers that may be treated by alkylating agents, such as temozolomide.

  公开号：

  WO2023131677A1