2,3,4-trihydroxy-3',4',5'-trimethoxybenzophenone | 647838-94-6

• 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: 2,3,4-trihydroxy-3',4',5'-trimethoxybenzophenone
• 英文别名: Methanone, (2,3,4-trihydroxyphenyl)(3,4,5-trimethoxyphenyl)-；(2,3,4-trihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
• CAS: 647838-94-6
• 化学式: C₁₆H₁₆O₇
• 分子量: 320.299
• InChiKey: NGDVAPMVMSENFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  硫酸二甲酯 、 2,3,4-trihydroxy-3',4',5'-trimethoxybenzophenone 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 0.5h， 以61%的产率得到hydroxyphenstatin
  参考文献：
  名称：

  A Simple and Convenient Multigram Scale Synthesis of Hydroxyphenstatin: Potential Cancer Cell Growth Inhibitor

  摘要：

  A simple and convenient two-step synthesis of hydroxyphenstatin (2) is reported by condensing 3,4,5-trimethoxybenzoic acid with pyrogallol and subsequent selective methylation with dimethyl sulphate in presence of potassium carbonate.

  DOI：

  10.1081/scc-120026308
• 作为产物：
  描述：

  3,4,5-三甲氧基苯甲酸 、 邻苯三酚 在 三氟化硼乙醚 作用下， 反应 2.0h， 以25%的产率得到2,3,4-trihydroxy-3',4',5'-trimethoxybenzophenone
  参考文献：
  名称：

  A Simple and Convenient Multigram Scale Synthesis of Hydroxyphenstatin: Potential Cancer Cell Growth Inhibitor

  摘要：

  A simple and convenient two-step synthesis of hydroxyphenstatin (2) is reported by condensing 3,4,5-trimethoxybenzoic acid with pyrogallol and subsequent selective methylation with dimethyl sulphate in presence of potassium carbonate.

  DOI：

  10.1081/scc-120026308

文献信息

• [EN] COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS<br/>[FR] COMPOSITIONS DE BENZOPHÉNONES POLYHYDROXYLÉS ET MÉTHODES DE TRAITEMENT DE TROUBLES NEURODÉGÉNÉRATIFS
  申请人：MASSACHUSETTS INST TECHNOLOGY

  公开号：WO2017106861A1

  公开（公告）日：2017-06-22

  The present invention relates to polyhydroxylated benzophenone compounds useful in the treatment of neurodegenerative, neurological, psychiatric, and cognitive diseases, in particular those associated with a deficiency in HDAC1 deacetylase activity.

  本发明涉及聚羟基苯酮类化合物，其在治疗神经退行性、神经学、精神病和认知疾病中有用，特别是那些与HDAC1脱乙酰化酶活性缺乏有关的疾病。
• Compositions of polyhydroxylated benzophenones and methods of treatment of neurodegenerative disorders
  申请人：Massachusetts Institute of Technology

  公开号：US11180438B2

  公开（公告）日：2021-11-23

  The present invention relates to polyhydroxylated benzophenone compounds useful in the treatment of neurodegenerative, neurological, psychiatric, and cognitive diseases, in particular those associated with a deficiency in HDAC1 deacetylase activity.

  本发明涉及多羟基二苯甲酮化合物，可用于治疗神经退行性疾病、神经疾病、精神疾病和认知疾病，特别是与 HDAC1 去乙酰化酶活性缺乏有关的疾病。
• COMPOSITIONS OF POLYHYDROXYLATED BENZOPHENONES AND METHODS OF TREATMENT OF NEURODEGENERATIVE DISORDERS
  申请人：Massachusetts Institute of Technology

  公开号：US20200087236A9

  公开（公告）日：2020-03-19

  The present invention relates to polyhydroxylated benzophenone compounds useful in the treatment of neurodegenerative, neurological, psychiatric, and cognitive diseases, in particular those associated with a deficiency in HDAC1 deacetylase activity.
• A Simple and Convenient Multigram Scale Synthesis of Hydroxyphenstatin: Potential Cancer Cell Growth Inhibitor
  作者：Pedamallu Radha

  DOI：10.1081/scc-120026308

  日期：2003.12

  A simple and convenient two-step synthesis of hydroxyphenstatin (2) is reported by condensing 3,4,5-trimethoxybenzoic acid with pyrogallol and subsequent selective methylation with dimethyl sulphate in presence of potassium carbonate.