1-methyl-N-((S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)piperidine-2-carboxamide | 891259-04-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-methyl-N-((S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)piperidine-2-carboxamide
• 英文别名: 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]piperidine-2-carboxamide
• CAS: 891259-04-4
• 化学式: C₂₄H₃₄N₄O₂
• 分子量: 410.56
• InChiKey: GFBFIGQHSCLECS-AIBWNMTMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  78.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (S)-8-amino-8-(5-phenyl-1H-imidazol-2-yl)octan-2-one 2,2,2-trifluoroacetate 、 1-甲基哌啶-2-羧酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 生成 1-methyl-N-((S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)piperidine-2-carboxamide
  参考文献：
  名称：

  Optimization of a series of potent and selective ketone histone deacetylase inhibitors

  摘要：

  Histone deacetylase (HDAC) inhibitors offer a promising strategy for cancer therapy and the first generation HDAC inhibitors are currently in the clinic. Herein we describe the optimization of a series of ketone small molecule HDAC inhibitors leading to potent and selective class I HDAC inhibitors with good dog PK. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.003

文献信息

• HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS
  申请人：ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A.

  公开号：EP1828171B1

  公开（公告）日：2014-03-12
• Optimization of a series of potent and selective ketone histone deacetylase inhibitors
  作者：Giovanna Pescatore、Olaf Kinzel、Barbara Attenni、Ottavia Cecchetti、Fabrizio Fiore、Massimiliano Fonsi、Michael Rowley、Carsten Schultz-Fademrecht、Sergio Serafini、Christian Steinkühler、Philip Jones

  DOI：10.1016/j.bmcl.2008.09.003

  日期：2008.10

  Histone deacetylase (HDAC) inhibitors offer a promising strategy for cancer therapy and the first generation HDAC inhibitors are currently in the clinic. Herein we describe the optimization of a series of ketone small molecule HDAC inhibitors leading to potent and selective class I HDAC inhibitors with good dog PK. (c) 2008 Elsevier Ltd. All rights reserved.