Niltubacin

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Niltubacin
• 英文别名: 8-[4-[(2R,4R,6S)-4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]anilino]-8-oxooctanoic acid
• 化学式: C₄₁H₄₂N₂O₇S
• 分子量: 706.8
• InChiKey: WLLKRNCIQXOQHG-YXQOSMAKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  51
• 可旋转键数：
  16
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  156
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF
  申请人：President and Fellows of Harvard College

  公开号：US20170267630A1

  公开（公告）日：2017-09-21

  HDAC inhibitors of the general formula (I) and (II) and pharmaceutically acceptable salts thereof, as described herein, are useful as inhibitors of histone deacetylases or other deacetylases, and thus are useful for the treatment of various diseases and disorders associated with acetylase/deacetylase activity as described herein (e.g., cancer). In certain embodiments, the compounds of the invention selectively target either a class or isoform of the HDAC family. Another aspect of the invention provides an assay for determining the inhibitory effect of a test compound on an HDAC protein comprising: incubating the HDAC protein with a substrate of general formula (IIIc) in the presence of a test compound; and determining the activity of the HDAC protein.
• US7244853B2
  申请人：——

  公开号：US7244853B2

  公开（公告）日：2007-07-17
• US9540317B2
  申请人：——

  公开号：US9540317B2

  公开（公告）日：2017-01-10