N-[4-(Isopropylamino-methyl)-cyclohexylmethyl]-benzenesulfonamide | 691886-89-2

• 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: N-[4-(Isopropylamino-methyl)-cyclohexylmethyl]-benzenesulfonamide
• CAS: 691886-89-2
• 化学式: C₁₇H₂₈N₂O₂S
• 分子量: 324.488
• InChiKey: HCTBFJIYHMFOEB-WKILWMFISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.77
• 重原子数：
  22.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  58.2
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  异氰酸苄酯 、 N-[4-(Isopropylamino-methyl)-cyclohexylmethyl]-benzenesulfonamide 以 二氯甲烷 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  Synthesis and evaluation of new arylsulfonamidomethylcyclohexyl derivatives as human neuropeptide Y Y5 receptor antagonists for the treatment of obesity

  摘要：

  NPY is the most potent orexigenic peptide identified up to now. Stimulation of food intake is measured by the Y-1 and Y-5 receptor subtypes. In this study, the synthesis and evaluation of new arylsulfonamidomethylcyclohexyl derivatives are described as potential selective antagonists of the human NPY Y-5 receptor. The SAR of these series was examined and the amide derivatives were the compounds that showed the best activities. trans-N-{4-[(Quinolin-3-yl)aminocarbonyl]cyclohexylmethyl}-2,4-dichlorobenzenesulfonamide (42) bound to the human neuropeptide Y Y-5 receptor with a 2 nM IC50. (C) 2003 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2003.10.001
• 作为产物：
  描述：

  4-(Benzenesulfonylamino-methyl)-cyclohexanecarboxylic acid isopropylamide 在 sodium acetoxyborohydride 作用下， 以 1,4-二氧六环 为溶剂， 反应 5.0h， 生成 N-[4-(Isopropylamino-methyl)-cyclohexylmethyl]-benzenesulfonamide
  参考文献：
  名称：

  Synthesis and evaluation of new arylsulfonamidomethylcyclohexyl derivatives as human neuropeptide Y Y5 receptor antagonists for the treatment of obesity

  摘要：

  NPY is the most potent orexigenic peptide identified up to now. Stimulation of food intake is measured by the Y-1 and Y-5 receptor subtypes. In this study, the synthesis and evaluation of new arylsulfonamidomethylcyclohexyl derivatives are described as potential selective antagonists of the human NPY Y-5 receptor. The SAR of these series was examined and the amide derivatives were the compounds that showed the best activities. trans-N-{4-[(Quinolin-3-yl)aminocarbonyl]cyclohexylmethyl}-2,4-dichlorobenzenesulfonamide (42) bound to the human neuropeptide Y Y-5 receptor with a 2 nM IC50. (C) 2003 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2003.10.001