2-(4-Benzenesulfonylamino-benzyl)-3-methyl-butyric acid ethyl ester | 400078-80-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-Benzenesulfonylamino-benzyl)-3-methyl-butyric acid ethyl ester
• 英文别名: Ethyl 2-[[4-(benzenesulfonamido)phenyl]methyl]-3-methylbutanoate
• CAS: 400078-80-0
• 化学式: C₂₀H₂₅NO₄S
• 分子量: 375.489
• InChiKey: MTKILGQYZMFCJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  80.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-Benzenesulfonylamino-benzyl)-3-methyl-butyric acid ethyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Design and synthesis of a novel class of histone deacetylase inhibitors

  摘要：

  Histone deacetylase inhibitors (HDACs) have emerged as a novel class of antiproliferative agents. Utilizing structure-based design, the synthesis of a series of sulfonamide hydroxamic acids is described. Further optimization of this series by substitution of the terminal aromatic ring yielded HDAC inhibitors with good in vitro and in vivo activities. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00552-2
• 作为产物：
  描述：

  异戊酸乙酯 在 palladium on activated charcoal 氢气 、 三乙胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 2-(4-Benzenesulfonylamino-benzyl)-3-methyl-butyric acid ethyl ester
  参考文献：
  名称：

  Design and synthesis of a novel class of histone deacetylase inhibitors

  摘要：

  Histone deacetylase inhibitors (HDACs) have emerged as a novel class of antiproliferative agents. Utilizing structure-based design, the synthesis of a series of sulfonamide hydroxamic acids is described. Further optimization of this series by substitution of the terminal aromatic ring yielded HDAC inhibitors with good in vitro and in vivo activities. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00552-2

文献信息

• INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF
  申请人：Deziel Robert

  公开号：US20080146623A1

  公开（公告）日：2008-06-19

  The invention relates to the inhibition of histone deacetylase. The invention provides compounds, prodrugs thereof, and methods for inhibiting histone deacetylase enzymatic activity. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  本发明涉及抑制组蛋白去乙酰化酶的技术。本发明提供了抑制组蛋白去乙酰化酶酶活性的化合物、前药及其方法。本发明还提供了治疗细胞增殖性疾病和病症的组合物和方法。
• Inhibitors of histone deacetylase and prodrugs thereof
  申请人：MethylGene Inc.

  公开号：EP2573069A2

  公开（公告）日：2013-03-27

  The invention relates to the inhibition of histone deacetylase. The invention provides compounds, prodrugs thereof, and methods for inhibiting histone deacetylase enzymatic activity. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  本发明涉及组蛋白去乙酰化酶的抑制。本发明提供了抑制组蛋白去乙酰化酶酶活性的化合物、其原药和方法。本发明还提供了治疗细胞增殖性疾病和病症的组合物和方法。
• US8796330B2
  申请人：——

  公开号：US8796330B2

  公开（公告）日：2014-08-05
• USRE39850E1
  申请人：——

  公开号：USRE39850E1

  公开（公告）日：2007-09-18
• USRE43343E1
  申请人：——

  公开号：USRE43343E1

  公开（公告）日：2012-05-01