1-[4-(3-cyclohexylamino-2-hydroxypropoxy)phenyl]-1-(4-hydroxyphenyl)-2-(3,4-methylenedioxyphenyl)-1-butene | 147322-28-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[4-(3-cyclohexylamino-2-hydroxypropoxy)phenyl]-1-(4-hydroxyphenyl)-2-(3,4-methylenedioxyphenyl)-1-butene
• 英文别名: 4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]phenyl]but-1-enyl]phenol
• CAS: 147322-28-9
• 化学式: C₃₂H₃₇NO₅
• 分子量: 515.649
• InChiKey: YHQVCTFKRYKMJA-OVXWJCGASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  80.2
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• TRIPHENYLETHYLENE DERIVATIVE AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME
  申请人：Asahi Kasei Kogyo Kabushiki Kaisha

  公开号：EP0589039A1

  公开（公告）日：1994-03-30

  A triphenylalkene derivative represented by general formula (1), a pharmaceutically acceptable acid addition salt thereof, and a pharmaceutical composition thereof having a tumor inhibitory action and an osteoporosis curing activity. In general formula (1) R₁ represents a group selected among those represented by formulae (2), (3) and (4); R₆ and R₇ represent each hydrogen, alkyl or cycloalkyl, or R₆ and R₇ together form a heterocyclic group with the adjacent nitrogen atom, provided that R₆ and R₇ should not be hydrogen atoms at the same time; R₈ represents hydrogen or alkylcarbonyl; R₂ represents alkyl or cycloalkyl; R₃ represents phenyl or 3,4-methylenedioxyphenyl, provided that when R₃ represents phenyl, the case where R₁ represents a group of formula (4) is excluded; R₄ represents hydrogen, hydroxyl, R₉C(O)O-, R₁₀OCH₂O-, -OPO(OH)₂ or CH = NOR₁₁; R₉ represents alkyl; R₁₀ represents alkyl or alkylcarbonyl; R₅ represents hydrogen or CH = NOR₁₁; and R₁₁ represents hydrogen, alkyl or substituted alkyl.

  一种由通式（1）表示的三苯基烯衍生物，其药学上可接受的酸盐和具有抑制肿瘤作用和治疗骨质疏松活性的药物组合物。在通式（1）中，R₁代表在通式（2）、（3）和（4）中代表的群中选择的一个群；R₆和R₇分别代表氢、烷基或环烷基，或R₆和R₇与相邻的氮原子形成杂环基团，但要求R₆和R₇不能同时为氢原子；R₈代表氢或烷基羰基；R₂代表烷基或环烷基；R₃代表苯基或3,4-亚甲二氧基苯基，但要求当R₃代表苯基时，排除R₁代表通式（4）的情况；R₄代表氢、羟基、R₉C(O)O-、R₁₀OCH₂O-、-OPO(OH)₂或CH = NOR₁₁；R₉代表烷基；R₁₀代表烷基或烷基羰基；R₅代表氢或CH = NOR₁₁；R₁₁代表氢、烷基或取代烷基。