ethyl 4-[(1,1-dioxide-3-oxo-2H-benzo[d]isothiazol-2-yl)methyl]benzoate | 825661-08-3

• 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: ethyl 4-[(1,1-dioxide-3-oxo-2H-benzo[d]isothiazol-2-yl)methyl]benzoate
• 英文别名: ethyl 4-[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl]benzoate；ethyl 4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoate
• CAS: 825661-08-3
• 化学式: C₁₇H₁₅NO₅S
• 分子量: 345.376
• InChiKey: SGAUWIYBLBTXLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  89.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 4-[(1,1-dioxide-3-oxo-2H-benzo[d]isothiazol-2-yl)methyl]benzoate 在 盐酸 、 水 作用下， 生成 4-[(1,1,3-Trioxo-2,3-dihydro-1λ⁶,2-benzothiazol-2-yl)methyl]benzoic acid
  参考文献：
  名称：

  EP2045246

  摘要：

  公开号：
• 作为产物：
  描述：

  4-(溴甲基)苯甲酸乙酯 、 糖精 以 N,N-二甲基甲酰胺 为溶剂， 生成 ethyl 4-[(1,1-dioxide-3-oxo-2H-benzo[d]isothiazol-2-yl)methyl]benzoate
  参考文献：
  名称：

  EP2045246

  摘要：

  公开号：

文献信息

• DERIVATIVES OF BENZO[D] ISOTHIAZOLES AS HISTONE DEACETYLASE INHIBITORS
  申请人：Universidad De Granada

  公开号：EP2045246A1

  公开（公告）日：2009-04-08

  The invention relates to derivatives of benzo[d]isothiazoles as histone deacetylase inhibitors, selected from among compounds of general formula (Ia) and (Ib) or one of the salts thereof, particularly one of the pharmaceutically acceptable salts thereof, or one of the corresponding solvates thereof. These compounds are histone deacetylase enzyme inhibitors and are suitable as pharmacologically active agents in a medicament for the treatment and/or prophylaxis of disorders or diseases associated to histone deacetylases. The invention also describes a process for obtaining the mentioned compounds and the pharmaceutical compositions containing them

  本发明涉及作为组蛋白去乙酰化酶抑制剂的苯并[d]异噻唑衍生物，它们选自通式(Ia)和(Ib)化合物或其盐类之一，特别是其药学上可接受的盐类之一，或其相应的溶解物之一。这些化合物是组蛋白去乙酰化酶抑制剂，可作为药理活性剂用于治疗和/或预防与组蛋白去乙酰化酶有关的紊乱或疾病。本发明还描述了获得上述化合物和含有这些化合物的药物组合物的过程
• DERIVATIVES OF BENZO[D]ISOTHIAZOLES AS HISTONES DEACETYLASE INHIBITORS
  申请人：Gomez Vidal Jose Antonio

  公开号：US20090312377A1

  公开（公告）日：2009-12-17

  The invention relates to derivatives of benzo[d]isothiazoles as histone deacetylase inhibitors, selected from among compounds of general formula (Ia) and (Ib) or one of the salts thereof, particularly one of the pharmaceutically acceptable salts thereof, or one of the corresponding solvates thereof. These compounds are histone deacetylase enzyme inhibitors and are suitable as pharmacologically active agents in a medicament for the treatment and/or prophylaxis of disorders or diseases associated to histone deacetylases. The invention also describes a process for obtaining the mentioned compounds and the pharmaceutical compositions containing them
• EP2045246
  申请人：——

  公开号：——

  公开（公告）日：——