3-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamido)benzoic acid

• 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-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamido)benzoic acid
• 英文别名: 3-{[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)propanoyl]amino}benzoic acid；3-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoic acid
• 化学式: C₁₇H₁₄N₂O₆S
• mdl: MFCD03998016
• 分子量: 374.374
• InChiKey: RMBXLLIXMJBXIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamido)benzoic acid 在 盐酸羟胺 、 三乙胺 、 氯甲酸异丁酯 作用下， 以 甲醇 为溶剂， 反应 8.0h， 以20%的产率得到3-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamido)-N-hydroxybenzamide
  参考文献：
  名称：

  Design, synthesis and biological evaluation of saccharin-based N -hydroxybenzamides as histone deacetylases (HDACs) inhibitors

  摘要：

  We report the development of a novel series of saccharin-based N-hydroxybenzamides as histone deacetylases inhibitors. Among them, 6j exhibited potent HDACs inhibitory activity against Hela nuclear extract. Further biological evaluation found 6i showed similar antiproliferative activities in vitro compared with the approved SAHA. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.07.008
• 作为产物：
  描述：

  3-(3-bromopropanamido)benzoic acid 、 糖精 在 碳酸氢钠 作用下， 以 水 为溶剂， 反应 96.0h， 以41%的产率得到3-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamido)benzoic acid
  参考文献：
  名称：

  Design, synthesis and biological evaluation of saccharin-based N -hydroxybenzamides as histone deacetylases (HDACs) inhibitors

  摘要：

  We report the development of a novel series of saccharin-based N-hydroxybenzamides as histone deacetylases inhibitors. Among them, 6j exhibited potent HDACs inhibitory activity against Hela nuclear extract. Further biological evaluation found 6i showed similar antiproliferative activities in vitro compared with the approved SAHA. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.07.008

文献信息

• Design, synthesis and biological evaluation of saccharin-based N -hydroxybenzamides as histone deacetylases (HDACs) inhibitors
  作者：Huansheng Fu、Leiqiang Han、Xuben Hou、Yanyan Dun、Lei Wang、Xiaowei Gong、Hao Fang

  DOI：10.1016/j.bmc.2015.07.008

  日期：2015.9

  We report the development of a novel series of saccharin-based N-hydroxybenzamides as histone deacetylases inhibitors. Among them, 6j exhibited potent HDACs inhibitory activity against Hela nuclear extract. Further biological evaluation found 6i showed similar antiproliferative activities in vitro compared with the approved SAHA. (C) 2015 Elsevier Ltd. All rights reserved.