Methyl 2-(1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalen-6-yl)-2-oxoacetate | 168301-02-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: Methyl 2-(1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalen-6-yl)-2-oxoacetate
• 英文别名: Methyl 2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate
• CAS: 168301-02-8
• 化学式: C₁₇H₂₂O₃
• 分子量: 274.36
• InChiKey: VMOWOBDUOIDTMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 2-(1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalen-6-yl)-2-oxoacetate 在 sodium hydroxide 、 4,4'-二氨基二苯乙烯-2,2'-二磺酸 作用下， 生成 2,2-difluoro-2-(1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalen-6-yl)acetic acid
  参考文献：
  名称：

  A novel synthesis of 1, 2-diaryl-2, 2-difluoroethanones

  摘要：

  DOI：

  10.1016/0040-4039(94)88398-x
• 作为产物：
  描述：

  甲基戊酰氯 、 1,1,4,4-四甲基-1,2,3,4-四氢萘 在 aluminum (III) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以71%的产率得到Methyl 2-(1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalen-6-yl)-2-oxoacetate
  参考文献：
  名称：

  Tricyclic hydroxamate and benzaminde derivatives, compositions and methods

  摘要：

  本发明涉及抑制组蛋白去乙酰化酶酶活性的化合物和方法。本发明还涉及包含这些化合物的药物组合物，以及在体外和体内使用这些化合物和组合物来抑制组蛋白去乙酰化酶（HDACs）并治疗由HDAC介导的疾病，如癌症、增生性疾病、牛皮癣以及中枢神经系统疾病。此外，本发明还涉及制备上述化合物的方法。

  公开号：

  EP1541549A1

文献信息

• Tricyclic hydroxamate and benzaminde derivatives, compositions and methods
  申请人：Exonhit Therapeutics S.A.

  公开号：EP1541549A1

  公开（公告）日：2005-06-15

  The present invention relates to compounds and methods for inhibiting histone deacetylase enzymatic activity. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit histone deacetylases (HDACs), and in the treatment of conditions mediated by HDAC, cancer, proliferative conditions, psoriasis, and also central nervous system diseases. It further deals with processes for preparing said compounds.

  本发明涉及抑制组蛋白去乙酰化酶酶活性的化合物和方法。本发明还涉及包含这些化合物的药物组合物，以及在体外和体内使用这些化合物和组合物来抑制组蛋白去乙酰化酶（HDACs）并治疗由HDAC介导的疾病，如癌症、增生性疾病、牛皮癣以及中枢神经系统疾病。此外，本发明还涉及制备上述化合物的方法。
• Tricyclic hydroxamate and benzamide derivatives, compositions and methods
  申请人：Leblond Bertrand

  公开号：US20070129368A1

  公开（公告）日：2007-06-07

  The present invention relates to compounds and methods for inhibiting histone deacetylase enzymatic activity. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit histone deacetylases (IIDACs), and in the treatment of conditions mediated by HDAC, cancer, proliferative conditions, psoriasis, and also central nervous system diseases. It further deals with processes for preparing said compounds.

  本发明涉及化合物和方法，用于抑制组蛋白去乙酰化酶的酶活性。本发明还涉及包含这种化合物的制药组合物，以及在体外和体内使用这种化合物和组合物来抑制组蛋白去乙酰化酶（IIDACs）并用于治疗由HDAC介导的疾病，如癌症，增殖性疾病，牛皮癣以及中枢神经系统疾病。此外，本发明还涉及制备所述化合物的过程。
• TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS
  申请人：Exonhit Therapeutics SA

  公开号：EP1692097A1

  公开（公告）日：2006-08-23
• US7923579B2
  申请人：——

  公开号：US7923579B2

  公开（公告）日：2011-04-12
• [EN] TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS<br/>[FR] DERIVES DE HYDROXAMATE ET BENZAMIDE TRICYCLIQUES, COMPOSITIONS ET PROCEDES
  申请人：EXONHIT THERAPEUTICS SA

  公开号：WO2005058803A1

  公开（公告）日：2005-06-30

  The present invention relates to compounds and methods for inhibiting histone deacetylase enzymatic activity. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit histone deacetylases (HDACs), and in the treatment of conditions mediated by HDAC, cancer, proliferative conditions, psoriasis, and also central nervous system diseases. It further deals with processes for preparing said compounds.