2-(2-(diethylamino)ethyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(2-(diethylamino)ethyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide
• 英文别名: 2-[3-[Bis(2-hydroxyethyl)amino]propyl]-1,1-dioxo-1,2-benzothiazol-3-one；2-[3-[bis(2-hydroxyethyl)amino]propyl]-1,1-dioxo-1,2-benzothiazol-3-one
• 化学式: C₁₄H₂₀N₂O₅S
• 分子量: 328.389
• InChiKey: QBRCMYGBYIZWAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  糖精 在 sodium hydride 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.16h， 生成 2-(2-(diethylamino)ethyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide
  参考文献：
  名称：

  Sulfonamides as multifunctional agents for Alzheimer’s disease

  摘要：

  Sulfonamide linker-based inhibitors with extended linear structure were designed and synthesized with the aim of producing multifunctional agents against several processes involved in the pathology of Alzheimer's disease (AD). The potency of the compounds were assessed in the inhibition of Ab self-assembly (fibril and oligomer formation), in modulating cholinesterase (AChE, BuChE) activity, and scavenging free radicals. Several compounds exhibited promising Ab self-assembly and cholinesterase inhibition and in parallel, showed good free radical scavenging properties. The investigation of the scaffold described in this study resulted in the identification of three compounds (14, 19 and 26) as promising leads for the further design of multifunctional drug candidates for AD. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.12.006

文献信息

• Sulfonamides as multifunctional agents for Alzheimer’s disease
  作者：Seema Bag、Rekha Tulsan、Abha Sood、Hyejin Cho、Hana Redjeb、Weihong Zhou、Harry LeVine、Béla Török、Marianna Török

  DOI：10.1016/j.bmcl.2014.12.006

  日期：2015.2

  Sulfonamide linker-based inhibitors with extended linear structure were designed and synthesized with the aim of producing multifunctional agents against several processes involved in the pathology of Alzheimer's disease (AD). The potency of the compounds were assessed in the inhibition of Ab self-assembly (fibril and oligomer formation), in modulating cholinesterase (AChE, BuChE) activity, and scavenging free radicals. Several compounds exhibited promising Ab self-assembly and cholinesterase inhibition and in parallel, showed good free radical scavenging properties. The investigation of the scaffold described in this study resulted in the identification of three compounds (14, 19 and 26) as promising leads for the further design of multifunctional drug candidates for AD. (C) 2014 Elsevier Ltd. All rights reserved.