4-n-pentanoyl-N-(cyclohexylcarbamoyl)benzenesulfonamide | 93990-81-9

• 英文名称: 4-n-pentanoyl-N-(cyclohexylcarbamoyl)benzenesulfonamide
• 英文别名: N-Cyclohexyl-N'-<4-valeryl-benzolsulfonyl>-harnstoff
• CAS: 93990-81-9
• 化学式: C₁₈H₂₆N₂O₄S
• 分子量: 366.481
• InChiKey: OLNGFJAMHKVRJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.38
• 重原子数：
  25.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  92.34
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4-n-pentanoylbenzenesulfonamide 、 环己基异氰酸酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 20.0h， 以57%的产率得到4-n-pentanoyl-N-(cyclohexylcarbamoyl)benzenesulfonamide
  参考文献：
  名称：

  Catalytic Properties of Carbonyl Reductase from Rabbit Kidney for Acetohexamide and Its Analogs

  摘要：

  Analogs submitted by ethyl, n-propyl, n-butyl, and isopropyl groups instead of methyl group adjacent to a ketone group of acetohexamide were synthesized and the structural requirements of carbonyl reductase from rabbit kidney for these analogs were kinetically examined. The hydrophobicities in straight-chain alkyl groups of acetohexamide analogs were found to play an important role in the catalytic activity and substrate-binding capacity of the enzyme. We propose the possibility that a hydrophobic pocket is located in the substrate-binding domain of the enzyme. (C) 1998 Academic Press, Inc.

  DOI：

  10.1006/bioo.1994.1032