3-cyano-N-[(4-fluorophenyl)methyl]benzenesulfonamide | 1001541-52-1

• 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-cyano-N-[(4-fluorophenyl)methyl]benzenesulfonamide
• CAS: 1001541-52-1
• 化学式: C₁₄H₁₁FN₂O₂S
• 分子量: 290.318
• InChiKey: MWYPTGCPFUEBTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  78.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-cyano-N-[(4-fluorophenyl)methyl]benzenesulfonamide 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 18.0h， 生成 3-cyano-N-[(4-fluorophenyl)methyl]-N-[2-[(2S)-5-oxopyrrolidin-2-yl]ethyl]benzenesulfonamide
  参考文献：
  名称：

  Lactam sulfonamides as potent inhibitors of the Kv1.5 potassium ion channel

  摘要：

  A series of lactam sulfonamides has been discovered and optimized as inhibitors of the Kv1.5 potassium ion channel for treatment of atrial fibrillation. In vitro structure-activity relationships from lead structure C to optimized structure 3y are described. Compound 3y was evaluated in a rabbit PD-model and was found to selectively prolong the atrial effective refractory period at submicromolar concentrations. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.067
• 作为产物：
  描述：

  3-氰基苯磺酰氯 、 对氟苄胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 3-cyano-N-[(4-fluorophenyl)methyl]benzenesulfonamide
  参考文献：
  名称：

  Lactam sulfonamides as potent inhibitors of the Kv1.5 potassium ion channel

  摘要：

  A series of lactam sulfonamides has been discovered and optimized as inhibitors of the Kv1.5 potassium ion channel for treatment of atrial fibrillation. In vitro structure-activity relationships from lead structure C to optimized structure 3y are described. Compound 3y was evaluated in a rabbit PD-model and was found to selectively prolong the atrial effective refractory period at submicromolar concentrations. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.067