3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridin-2-amine | 2096331-04-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
• CAS: 2096331-04-1
• 化学式: C₁₂H₁₆BF₃N₂O₂
• 分子量: 288.077
• InChiKey: ZXQHPUDFZBGBOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.98
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  57.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridin-2-amine 在 双氧水 、 potassium hydroxide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 18.0h， 生成 6-(trifluoromethyl)oxazolo[4,5-b]pyridine-2-thiol
  参考文献：
  名称：

  [EN] COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS
  [FR] COMPOSÉS ET LEUR UTILISATION COMME INHIBITEURS D'HDAC6

  摘要：

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt and/or solvate thereof, wherein Y1is a 9- or 10-membered bicyclic heteroaryl, Y2is a 5-membered heteroaryl, Z1is selected from (C=O)-R9, S(O)-R9and S(O2)-R9, L is an alkyl-, cycloalkyl- or heterocycloalkyl-based linker, and R1and R9may be various groups. The present invention further relates to a compound of formula (I) as HDAC6 inhibitor, typically for use in the treatment and/or the prevention of an HDAC6-associated disease, such as cancers, neurodegenerative diseases, neuropathies or cardiovascular diseases.

  公开号：

  WO2023118507A2
• 作为产物：
  描述：

  联硼酸频那醇酯 、 2-氨基-3-溴-5-三氟甲基吡啶 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium acetate 作用下， 以 1,4-二氧六环 为溶剂， 以94 %的产率得到3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
  参考文献：
  名称：

  [EN] COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS
  [FR] COMPOSÉS ET LEUR UTILISATION COMME INHIBITEURS D'HDAC6

  摘要：

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt and/or solvate thereof, wherein Y1is a 9- or 10-membered bicyclic heteroaryl, Y2is a 5-membered heteroaryl, Z1is selected from (C=O)-R9, S(O)-R9and S(O2)-R9, L is an alkyl-, cycloalkyl- or heterocycloalkyl-based linker, and R1and R9may be various groups. The present invention further relates to a compound of formula (I) as HDAC6 inhibitor, typically for use in the treatment and/or the prevention of an HDAC6-associated disease, such as cancers, neurodegenerative diseases, neuropathies or cardiovascular diseases.

  公开号：

  WO2023118507A2