2-benzoyl-3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one | 93796-24-8

• 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: 2-benzoyl-3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
• 英文别名: 2,4-bis(3-methyl-2-butenyl)-6-(benzoyl)-2,3,5-trihydroxycyclohexa-3,5-dienone
• CAS: 93796-24-8
• 化学式: C₂₃H₂₆O₅
• 分子量: 382.456
• InChiKey: XQPKXNBIQKXRHN-UHFFFAOYSA-N

物化性质

• 沸点：
  597.0±50.0 °C(Predicted)
• 密度：
  1.237±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.52
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  94.83
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  clusiaphenone B 在 氧气 、 lead acetate 作用下， 以 甲醇 为溶剂， 反应 504.0h， 以9%的产率得到2-benzoyl-3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
  参考文献：
  名称：

  Cann, Martin R.; Davis, Anne-Marie; Shannon, Patrick V. R., Journal of the Chemical Society. Perkin transactions I, 1984, # 7, p. 1413 - 1421

  摘要：

  DOI：

文献信息

• Polyhydroxyphenol derivatives and preventive and therapeutic agents for bone and cartilage diseases containing the same
  申请人：Hoechst Marion Roussel

  公开号：US06177474B1

  公开（公告）日：2001-01-23

  Compounds useful as preventive and therapeutic agents for bone and cartilage diseases; and drug compositions containing the same. The compounds are polyhydroxyphenol derivatives of general formula (I) and quinione analogues derived therefrom (wherein R1 is alkyl, optionally substituted benzyl or optionally substituted aryl; R2 is hydrogen, alkyl, alkenyl or optionally substituted benzyl; R3 is hydrogen, alkyl, alkenyl, optionally substituted benzyl, hydroxyl, alkoxy, alkenyloxy or optionally substituted benzyloxy; R4 is hydrogen, alkyl, alkenyl, optionally substituted benzyl or hydroxyl; and R5 and R6 are each independently hydrogen, alkyl, alkenyl or optionally substituted benzyl). The polyhydroxyphenol derivatives and the quinone analogues exhibit a potent inhibitory activity against bone resorption and are useful as preventive and therapeutic agents for bone and cartilage diseases.

  有用于骨骼和软骨疾病的预防和治疗剂的化合物；以及包含这些化合物的药物组合物。这些化合物是一般式（I）的多羟基苯酚衍生物和由此衍生的醌类似物（其中R1是烷基，可选择取代苯甲基或可选择取代芳基；R2是氢，烷基，烯基或可选择取代苯甲基；R3是氢，烷基，烯基，可选择取代苯甲基，羟基，烷氧基，烯氧基或可选择取代苯甲氧基；R4是氢，烷基，烯基，可选择取代苯甲基或羟基；R5和R6各自独立地是氢，烷基，烯基或可选择取代苯甲基）。多羟基苯酚衍生物和醌类似物表现出强大的抑制骨吸收的活性，并且非常适用于骨骼和软骨疾病的预防和治疗剂。
• POLYHYDROXYPHENOL DERIVATIVES AND PREVENTIVE AND THERAPEUTIC AGENTS FOR BONE AND CARTILAGE DISEASES CONTAINING THE SAME
  申请人：Hoechst Marion Roussel, Ltd.

  公开号：EP0994093A1

  公开（公告）日：2000-04-19

  Compounds useful as preventive and therapeutic agents for bone and cartilage diseases; and drug compositions containing the same. The compounds are polyhydroxyphenol derivatives of general formula (I) and quinone analogues derivative therefrom (wherein R1 is alkyl, optionally substituted benzyl, or optionally substituted aryl; R2 is hydrogen, alkyl, alkenyl or optionally substituted benzyl; R3 is hydrogen, alkyl, alkenyl, optionally substituted benzyl, hydroxyl, alkoxy. alkenyloxy or optionally substituted benzyloxy; R4 is hydrogen, alkyl, alkenyl, optionally substituted benzyl or hydroxyl; and R5 and R6 are each independently hydrogen, alkyl, alkenyl or optionally substituted benzyl). The polyhydroxyphenol derivatives and quinone analogues exhibit a potent inhibitory activity against bone resorption and are useful as preventive and therapeutic agents for bone and cartilage deseases.

  可用作骨和软骨疾病的预防和治疗剂的化合物；以及含有这些化合物的药物组合物。 这些化合物是通式（I）的多羟基苯酚衍生物及其醌类似物衍生物 (其中 R1 是烷基、任选取代的苄基或任选取代的芳基；R2 是氢、烷基、烯基或任选取代的苄基；R3 是氢、烷基、烯基、任选取代的苄基、羟基、烷氧基、烯氧基或任选取代的苄氧基；R4 是氢、烷基、烯基、任选取代的苄基或羟基；R5 和 R6 各自独立地是氢、烷基、烯基或任选取代的苄基）。 多羟基苯酚衍生物和醌类似物对骨吸收具有强效抑制活性，可作为骨和软骨疾病的预防和治疗药物。
• US6177474B1
  申请人：——

  公开号：US6177474B1

  公开（公告）日：2001-01-23