2-Hydroxymethyl-3,3-dihydroxyquinuclidine | 105384-29-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 奎宁环
• 英文名称: 2-Hydroxymethyl-3,3-dihydroxyquinuclidine
• 英文别名: 2-(hydroxymethyl)quinuclidine-3,3-diol；2-Hydroxymethyl-3,3-dihydroxychinuclidin；2-hydroxymethyl-3,3-dihydroxy-1-azabicyclo[2,2,2] octane；2-Hydroxymethyl-3,3-dihydroxy-quinuclidine；2-(hydroxymethyl)-1-azabicyclo[2.2.2]octane-3,3-diol
• CAS: 105384-29-0
• 化学式: C₈H₁₅NO₃
• 分子量: 173.212
• InChiKey: ZFEXCXNDPOKNKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  63.9
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-methylenequinuclidin-3-one 在 溴苯 、 magnesium 作用下， 生成 2-Hydroxymethyl-3,3-dihydroxyquinuclidine 、 2-benzylquinuclidin-3-one
  参考文献：
  名称：

  Synthesis and pharmacological properties of 2-substituted-3-aryl-3-hydroxyquinuclidines

  摘要：

  DOI：

  10.1007/bf00777272

文献信息

• 1-Azabicyclo[2.2.2]octan-3-one derivatives and maleimide derivatives and their use for treating cancer tumors
  申请人：——

  公开号：US20030166674A1

  公开（公告）日：2003-09-04

  The present invention provides novel compounds, corresponding to formulae I and II, respectively, which are able to reactivate the apoptosis-inducing function of mutant p53 proteins. This reactivation is provided by restoration of sequence-specific DNA-binding activity and transcriptional transactivation function to mutant p53 proteins, and modulation of the conformation-dependent epitopes of the p53 protein. Accordingly, the substances according to the invention will be used in pharmaceutical compositions and methods for treatment of patients suffering from various types of tumors.

  本发明提供了分别对应于式 I 和式 II 的新型化合物，它们能够重新激活突变 p53 蛋白的凋亡诱导功能。这种重新激活是通过恢复突变 p53 蛋白的序列特异性 DNA 结合活性和转录激活功能，以及调节 p53 蛋白的构象依赖性表位来实现的。因此，根据本发明的物质将用于治疗各类肿瘤患者的药物组合物和方法中。
• 1-Azabicyclo [2,2,2] octan-3-one derivatives
  申请人：Bykov Vladimir

  公开号：US20050090540A1

  公开（公告）日：2005-04-28

  The present invention provides novel compounds, corresponding to formulae I and II, respectively, which are able to reactivate the apoptosis-inducing function of mutant p53 proteins. This reactivation is provided by restoration of sequence-specific DNA-binding activity and transcriptional transactivation function to mutant p53 proteins, and modulation of the conformation-dependent epitopes of the p53 protein. Accordingly, the substances according to the invention will be used in pharmaceutical compositions and methods for treatment of patients suffering from various types of tumors.

  本发明提供了分别对应于式 I 和式 II 的新型化合物，它们能够重新激活突变 p53 蛋白的凋亡诱导功能。这种重新激活是通过恢复突变 p53 蛋白的序列特异性 DNA 结合活性和转录激活功能，以及调节 p53 蛋白的构象依赖性表位来实现的。因此，根据本发明的物质将用于治疗各类肿瘤患者的药物组合物和方法中。
• USE OF 1-AZABICYCLO 2.2.2 OCTAN-3-ONE DERIVATIVES FOR TREATING CANCER TUMORS
  申请人：APREA AB

  公开号：EP1319000B1

  公开（公告）日：2008-11-05
• PHARMACEUTICAL USE OF 1-AZABICYCLO[ 2.2.2] OCTANES AND A METHOD OF TESTING COMPOUNDS FOR THE ABILITY OF ACTIVATING INACTIVE WT P53
  申请人：APREA AB

  公开号：EP1605939A1

  公开（公告）日：2005-12-21
• PHARMACEUTICAL USE OF 1-AZABICYCLO¬ 2.2.2 OCTANES AND A METHOD OF TESTING COMPOUNDS FOR THE ABILITY OF ACTIVATING INACTIVE WT P53
  申请人：APREA AB

  公开号：EP1605939B1

  公开（公告）日：2008-10-15