4-chloro-N-(thiophen-2-ylmethyl)butanamide

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-chloro-N-(thiophen-2-ylmethyl)butanamide
• 化学式: C₉H₁₂ClNOS
• 分子量: 217.719
• InChiKey: KJRQKIGHHCPGOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  57.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-chloro-N-(thiophen-2-ylmethyl)butanamide 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 以72 %的产率得到1-(thiophen-2-ylmethyl)pyrrolidin-2-one
  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：

  2-噻吩甲胺 、 4-氯丁酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以73 %的产率得到4-chloro-N-(thiophen-2-ylmethyl)butanamide
  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