3-[6-[[(3R)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]amino]pyridin-3-yl]-N-hydroxyprop-2-enamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 3-[6-[[(3R)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]amino]pyridin-3-yl]-N-hydroxyprop-2-enamide
• 化学式: C₂₁H₂₂N₄O₃
• 分子量: 378.4
• InChiKey: BYNMZKRZNFBALL-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  90.6
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• HDAC inhibitor
  申请人：Ishibashi Naoki

  公开号：US20060052599A1

  公开（公告）日：2006-03-09

  A compound having the following formula (I): wherein R 1 is hydrogen, lower alkyl, lower alkenyl, lower or higher alkynyl, cyclo(lower)alkyl, cyclo(higher)alkyl, cyclo(lower)alkyl(lower)alkyl, cyclo(higher)alkyl(lower)alkyl, cyclo(lower)alkenyl(lower)alkyl, aryl-fused cyclo(lower)alkyl, lower alkoxy, acyl, aryl, ar(lower)alkoxy, ar(lower)alkyl, heteroar(lower) alkyl, amino, heteroaryl, heterocyclyl or heterocyclyl(lower)alkyl, which may be substituted with one or more suitable substituent(s), R 2 is hydrogen or lower alkyl, X is arylene, heteroarylene, cycloalkylene, heterocycloalkylene or aryl-fused cycloalkylene, Y is arylene or heteroarylene, which may be substituted with one or more suitable substituent(s), Z is lower alkenylene, which may be substituted with lower alkyl or halogen, or a salt thereof. The compound is useful as a histone deacetylase inhibitor.

  以下化合物具有以下式子(I)： 其中， R1为氢、低烷基、低烯基、低或高炔基、环(低)烷基、环(高)烷基、环(低)烷基(低)烷基、环(高)烷基(低)烷基、环(低)烯基(低)烷基、芳基-融合环(低)烷基、低烷氧基、酰基、芳基、芳基(低)烷氧基、芳基(低)烷基、杂芳基(低)烷基、氨基、杂芳基、杂环基或杂环基(低)烷基，可以用一个或多个适当的取代基取代， R2为氢或低烷基， X为芳基亚烷基、杂芳基亚烷基、环烷基、杂环烷基或芳基-融合环烷基， Y为芳基或杂芳基，可以用一个或多个适当的取代基取代， Z为低烯基，可以用低烷基或卤素取代，或其盐。 该化合物可用作组蛋白去乙酰化酶抑制剂。
• HDAC INHIBITOR
  申请人：ISHIBASHI Naoki

  公开号：US20090054464A1

  公开（公告）日：2009-02-26

  Compounds having the formula (I): wherein R 1 is hydrogen, lower alkyl, lower alkenyl, lower or higher alkynyl, cyclo(lower)alkyl, cyclo(higher)alkyl, cyclo(lower)alkyl(lower)alkyl, cyclo(higher)alkyl(lower)alkyl, cyclo(lower)alkenyl(lower)alkyl, aryl-fused cyclo(lower)alkyl, lower alkoxy, acyl, aryl, ar(lower)alkoxy, ar(lower)alkyl, heteroar(lower)alkyl, amino, heteroaryl, heterocyclyl or heterocyclyl(lower)alkyl, which may be substituted with one or more suitable substituent(s), R 2 is hydrogen or lower alkyl, X is pyrrolidinylene or piperidinylene, Y is pyridylene, which may be substituted with one or more suitable substituent(s), Z is lower alkenylene, which may be substituted with lower alkyl or halogen, and salts thereof are useful as a histone deacetylase inhibitors.

  具有以下式（I）的化合物： 其中，R1是氢，低烷基，低烯基，低或高炔基，环低（）烷基，环高（）烷基，环低（）烷基（）烷基，环高（）烷基（）烷基，环低烯基（）烷基，芳基-融合环低（）烷基，低烷氧基，酰基，芳基，芳基（低）烷氧基，芳基（低）烷基，杂芳基（低）烷基，氨基，杂芳基，杂环基或杂环基（低）烷基，可以用一个或多个适当的取代基替代，R2是氢或低烷基，X是吡咯烷基或哌嗪烷基，Y是吡啶烷基，可以用一个或多个适当的取代基替代，Z是低烯基，可以用低烷基或卤素替代，并且它们的盐可用作组蛋白去乙酰化酶抑制剂。
• US7465731B2
  申请人：——

  公开号：US7465731B2

  公开（公告）日：2008-12-16
• US7557127B2
  申请人：——

  公开号：US7557127B2

  公开（公告）日：2009-07-07