3-(4-benzoylamino-benzyl)-1-methyl-1H-indole-5-carboxylic acid hydroxyamide | 950763-22-1

• 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: 3-(4-benzoylamino-benzyl)-1-methyl-1H-indole-5-carboxylic acid hydroxyamide
• 英文别名: 1-methyl-3-[4-(phenylcarbonylamino)-phenylmethyl]-1H-indole-5-carboxylic acid hydroxyamide；3-(4-benzoylamino-phenylmethyl)-1-methyl-1H-indole-5-carboxylic acid hydroxyamide；3-[(4-benzamidophenyl)methyl]-N-hydroxy-1-methylindole-5-carboxamide
• CAS: 950763-22-1
• 化学式: C₂₄H₂₁N₃O₃
• 分子量: 399.449
• InChiKey: BEXPYBBZTLTXKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  83.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-methyl-3-(4-nitro-phenylmethyl)-1H-indole-5-carboxylic acid methyl ester 在 钯 sodium hydroxide 、 盐酸羟胺 、 水 、 氢气 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 59.0h， 生成 3-(4-benzoylamino-benzyl)-1-methyl-1H-indole-5-carboxylic acid hydroxyamide
  参考文献：
  名称：

  [EN] INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE
  [FR] DÉRIVÉS D'INDOLE EN TANT QU'INHIBITEURS DE L'HISTONE DÉSACÉTYLASE

  摘要：

  公开号：

  WO2007109178A3

文献信息

• INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE
  申请人：Buggy J. Joseph

  公开号：US20070281934A1

  公开（公告）日：2007-12-06

  Described herein are compounds and pharmaceutical compositions containing such compounds, which inhibit the activity of histone deacetylase 8 (HDAC8). Also described herein are methods of using such HDAC8 inhibitors, alone and in combination with other compounds, for treating diseases or conditions that would benefit from inhibition of HDAC8 activity.

  本文介绍了一些化合物和含有这些化合物的药物组合物，这些化合物可以抑制组蛋白去乙酰化酶8（HDAC8）的活性。本文还介绍了使用这些HDAC8抑制剂的方法，单独或与其他化合物联合使用，用于治疗需要抑制HDAC8活性的疾病或病情。
• Indole derivatives as inhibitors of histone deacetylase
  申请人：Pharmacylics, Inc.

  公开号：US08338416B2

  公开（公告）日：2012-12-25

  Described herein are compounds and pharmaceutical compositions containing such compounds, which inhibit the activity of histone deacetylase 8 (HDAC8). Also described herein are methods of using such HDAC8 inhibitors, alone and in combination with other compounds, for treating diseases or conditions that would benefit from inhibition of HDAC8 activity.

  本文描述了一些化合物及其制药组合物，这些化合物可以抑制组蛋白去乙酰化酶8（HDAC8）的活性。同时，本文还描述了使用这些HDAC8抑制剂的方法，单独或与其他化合物联合使用，用于治疗需要抑制HDAC8活性的疾病或病情。
• Uses of Selective Inhibitors of HDAC8 for Treatment of T-Cell Proliferative Disorders
  申请人：Buggy Joseph J.

  公开号：US20080112889A1

  公开（公告）日：2008-05-15

  Described herein are methods for treating a subject suffering from a T-cell lymphoma by administering to the subject a pharmaceutical composition containing a therapeutically effective amount of a selective inhibitor of histone deacetylase 8. Also described herein are methods for treating a subject suffering from a T-cell lymphoma by administering to the subject a population of autologous T-cells that have been exposed to a selective HDAC8 inhibitor composition ex vivo.
• USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS
  申请人：Buggy Joseph J.

  公开号：US20110150825A1

  公开（公告）日：2011-06-23

  Described herein are methods for treating a subject suffering from an inflammatory, autoimmune, or heteroimmune condition by administering to the subject a pharmaceutical composition containing a therapeutically effective amount of a compound that is a selective inhibitor of histone deacetylase 8. Also described herein are methods for decreasing secretion of pro-inflammatory cytokines by administering an HDAC8-selective inhibitor compound. Further described herein are methods for predicting responsiveness to treatments for inflammatory conditions. Methods for predicting efficacy of treatments for inflammatory conditions are also described.
• USES OF SELECTIVE INHIBITORS OF HDAC8 AND TREATMENT OF INFLAMMATORY CONDITIONS
  申请人：Pharmacyclics, Inc.

  公开号：US20150038542A1

  公开（公告）日：2015-02-05

  Described herein are methods for treating a subject suffering from an inflammatory, autoimmune, or heteroimmune condition by administering to the subject a pharmaceutical composition containing a therapeutically effective amount of a compound that is a selective inhibitor of histone deacetylase 8. Also described herein are methods for decreasing secretion of pro-inflammatory cytokines by administering an HDAC8-selective inhibitor compound. Further described herein are methods for predicting responsiveness to treatments for inflammatory conditions. Methods for predicting efficacy of treatments for inflammatory conditions are also described.