7-(1-cyclopentyl-1H-benzo[d]imidazol-2-yl)-N-hydroxyheptanamide | 1179813-41-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 7-(1-cyclopentyl-1H-benzo[d]imidazol-2-yl)-N-hydroxyheptanamide
• 英文别名: 7-(1-cyclopentylbenzimidazol-2-yl)-N-hydroxyheptanamide
• CAS: 1179813-41-2
• 化学式: C₁₉H₂₇N₃O₂
• 分子量: 329.442
• InChiKey: ZMDUZMRXKQZSPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  67.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-cyclopentyl-2-nitroaniline 在 palladium on activated charcoal 、 盐酸羟胺 、 甲酸铵 、 溶剂黄146 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 、 甲苯 为溶剂， 生成 7-(1-cyclopentyl-1H-benzo[d]imidazol-2-yl)-N-hydroxyheptanamide
  参考文献：
  名称：

  Identification of novel HDAC inhibitors through cell based screening and their evaluation as potential anticancer agents

  摘要：

  A series of benzimidazole based HDAC inhibitors have been rationally designed, synthesized and screened. The SAR of this new chemotype is described. The lead compound, 11e, showed strong activity in several cellular assays and demonstrated in vivo efficacy in mouse xenograft pancreatic cancer models. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.07.001

文献信息

• [EN] COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES<br/>[FR] COMPOSÉS, COMPOSITIONS PHARMACEUTIQUES ET PROCÉDÉS D'UTILISATION DE DÉRIVÉS D'ACIDE HYDROXAMIQUE
  申请人：TRANSLATIONAL GENOMICS RES INST

  公开号：WO2009100045A1

  公开（公告）日：2009-08-13

  The invention encompasses a compound derived from hydroxamic acid that may be used to slow the expansion of cancer cells and thus is effective in the treatment of cancer. Generally, the disclosed compound includes a benzimidazole group coupled to a hydroxyamide of five or more unsubstituted carbon atoms and any pharmaceutically acceptable salts, solvates and chemically protected forms thereof. Also disclosed are pharmacological compositions including the compound and methods of using the compound to slow the expansion of cancer cells as well as methods of using the compound to treat cancer.

  该发明涵盖了一种源自羟羧酸的化合物，可以用来减缓癌细胞的扩张，因此在癌症治疗中有效。通常，所披露的化合物包括与苯并咪唑基团偶联的含有五个或更多未取代碳原子的羟基酰胺，以及任何药用可接受的盐、溶剂化合物和其化学保护形式。还披露了包括该化合物的药理学组合物以及使用该化合物减缓癌细胞扩张的方法，以及使用该化合物治疗癌症的方法。
• COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES
  申请人：Wang Tong

  公开号：US20120053188A1

  公开（公告）日：2012-03-01

  The invention encompasses a compound derived from hydroxamic acid that may be used to slow the expansion of cancer cells and thus is effective in the treatment of cancer. Generally, the disclosed compound includes a benzimidazole group coupled to a hydroxyamide of five or more unsubstituted carbon atoms and any pharmaceutically acceptable salts, solvates and chemically protected forms thereof. Also disclosed are pharmacological compositions including the compound and methods of using the compound to slow the expansion of cancer cells as well as methods of using the compound to treat cancer.

  这项发明涵盖了一种源自羟肟酸的化合物，可用于减缓癌细胞的扩张，因此在癌症治疗中是有效的。一般而言，所披露的化合物包括一个苯并咪唑基团与五个或更多未取代碳原子的羟酰胺偶联而成，以及任何药学上可接受的盐、溶剂化物和化学保护形式。还披露了包括该化合物的药理学组合物以及使用该化合物减缓癌细胞扩张的方法以及使用该化合物治疗癌症的方法。
• US8987468B2
  申请人：——

  公开号：US8987468B2

  公开（公告）日：2015-03-24
• US9381196B2
  申请人：——

  公开号：US9381196B2

  公开（公告）日：2016-07-05
• Identification of novel HDAC inhibitors through cell based screening and their evaluation as potential anticancer agents
  作者：Tong Wang、Mario Sepulveda、Paul Gonzales、Stephen Gately

  DOI：10.1016/j.bmcl.2013.07.001

  日期：2013.9

  A series of benzimidazole based HDAC inhibitors have been rationally designed, synthesized and screened. The SAR of this new chemotype is described. The lead compound, 11e, showed strong activity in several cellular assays and demonstrated in vivo efficacy in mouse xenograft pancreatic cancer models. (C) 2013 Elsevier Ltd. All rights reserved.