3-[1-[6-[3-[(dimethylamino)methyl]phenyl]pyridin-3-yl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide

• 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-[1-[6-[3-[(dimethylamino)methyl]phenyl]pyridin-3-yl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide
• 化学式: C₂₁H₂₂N₄O₄S
• 分子量: 426.5
• InChiKey: BDQPUQPSESYLBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• N-Sulphonylpyrroles and Their Use as Histone Deacetylase Inhibitors
  申请人：Maier Thomas

  公开号：US20080176848A1

  公开（公告）日：2008-07-24

  Compounds of a certain formula (I) in which R1, R2, R3, R4, R5, R6 and R7 have the meanings indicated in the description, are novel effective HDAC inhibitors.

  具有特定化学式（I）的化合物，其中R1、R2、R3、R4、R5、R6和R7具有描述中指示的含义，是新颖有效的HDAC抑制剂。
• N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS
  申请人：MAIER Thomas

  公开号：US20100074862A1

  公开（公告）日：2010-03-25

  Compounds of a certain formula (I), in which R1, R2, R3, R4, R5, R6 and R7 have the meanings indicated in the description, are novel effective HDAC inhibitors.

  具有某种公式（I）的化合物，其中R1、R2、R3、R4、R5、R6和R7具有描述中指示的含义，是新颖的有效HDAC抑制剂。
• COMBINATION COMPRISING HDAC INHIBITOR, LAG-3 INHIBITOR AND A PD-1 INHIBITOR OR PD-L1 INHIBITOR FOR CANCER TREATMENT
  申请人：4SC AG

  公开号：EP3781159A1

  公开（公告）日：2021-02-24
• COMBINATION COMPRISING HDAC INHIBITOR AND CD137 AGONIST FOR CANCER THERAPY
  申请人：4SC AG

  公开号：EP3773554A1

  公开（公告）日：2021-02-17
• HDAC INHIBITOR IN COMBINATION WITH IMMUNE CHECKPOINT MODULATOR FOR CANCER THERAPY
  申请人：4SC AG

  公开号：US20200261418A1

  公开（公告）日：2020-08-20

  The invention relates to methods, compositions and uses for the of treatment of cancer comprising the administration of an HDAC inhibitor as defined herein for the treatment of cancer in combination with at least one immune checkpoint modulator as defined herein.