4-[1-(2-benzo[d]isoxazol-3-yl-acetyl)-piperidin-4-yl]-N-hydroxy-butyramide | 910538-10-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 英文名称: 4-[1-(2-benzo[d]isoxazol-3-yl-acetyl)-piperidin-4-yl]-N-hydroxy-butyramide
• 英文别名: 4-[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-4-yl]-N-hydroxybutanamide
• CAS: 910538-10-2
• 化学式: C₁₈H₂₃N₃O₄
• 分子量: 345.398
• InChiKey: AOYPNRHQVFAYLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  95.7
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them
  申请人：Rossi Cristina

  公开号：US20080207694A1

  公开（公告）日：2008-08-28

  Compounds of structure (I) having histone deacetylase (HDAC) inhibitor activity are described. The compounds are chemically characterised by the presence of hydroxamic acid, with zinc as chelator, and an aromatic nucleus connected by a linker in which either a bicyclic aromatic system or a piperidino ring are present.

  结构（I）的化合物具有组蛋白去乙酰化酶（HDAC）抑制剂活性。这些化合物在化学上特征为存在羟肟酸，锌作为螯合剂，并且通过连接剂连接的芳香核与一个双环芳香系统或哌啶环存在。
• HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM
  申请人：Menarini International Operations Luxembourg S.A.

  公开号：EP1868997A1

  公开（公告）日：2007-12-26
• [EN] HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM<br/>[FR] HYDROXAMATES UTILISES EN TANT QU'INHIBITEURS DE DESACETYLASE D'HISTONES ET FORMULATIONS PHARMACEUTIQUES LES CONTENANT
  申请人：MENARINI INT OPERATIONS LU SA

  公开号：WO2006097460A1

  公开（公告）日：2006-09-21

  [EN] Compounds of structure (I) having histone deacetylase (HDAC) inhibitor activity are described. The compounds are chemically characterised by the presence of hydroxamic acid, with zinc as chelator, and an aromatic nucleus connected by a linker in which either a bicyclic aromatic system or a piperidino ring are present.
  [FR] L'invention concerne des composés ayant la structure (I) ayant une activité d'inhibiteurs d'hystone désacétylase (HDAC). Les composés sont caractérisés chimiquement par la présence d'acide hydroxamique, le zinc étant utilisé comme chélateur, et par un noyau aromatique connecté par un lieur dans lequel est présent soit un système aromatique bicyclique soit un anneau pipéridino.