(2S)-2-amino-1-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)pentan-1-ol 4-methylbenzenesulfonate | 896741-18-7

• 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: (2S)-2-amino-1-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)pentan-1-ol 4-methylbenzenesulfonate
• CAS: 896741-18-7
• 化学式: C₇H₈O₃S*C₁₁H₁₅N₃O₃
• 分子量: 409.463
• InChiKey: BQYDBRIJWRMJHB-MCNHTDSKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.73
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  152.68
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (2S)-2-amino-1-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)pentan-1-ol 4-methylbenzenesulfonate 、 1-(N-叔丁氧羰基氨基)环己烷甲酸 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Keto-1,3,4-oxadiazoles as cathepsin K inhibitors

  摘要：

  We have prepared a series of cathepsin K inhibitors bearing the keto-1,3,4-oxadiazole warhead capable of forming a hemithioketal complex with the target enzyme. By modifying binding moieties at the P-1, P-2, and prime side positions of the inhibitors, we have achieved selectivity over cathepsins B, L, and S, and have achieved sub-nanomolar potency against cathepsin K. This series thus represents a promising chemotype that could be used in diseases implicated by imbalances in cathepsin K activity such as osteoporosis. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.001
• 作为产物：
  描述：

  、 对甲苯磺酸 以 乙醚 为溶剂， 生成 (2S)-2-amino-1-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)pentan-1-ol 4-methylbenzenesulfonate
  参考文献：
  名称：

  Keto-1,3,4-oxadiazoles as cathepsin K inhibitors

  摘要：

  We have prepared a series of cathepsin K inhibitors bearing the keto-1,3,4-oxadiazole warhead capable of forming a hemithioketal complex with the target enzyme. By modifying binding moieties at the P-1, P-2, and prime side positions of the inhibitors, we have achieved selectivity over cathepsins B, L, and S, and have achieved sub-nanomolar potency against cathepsin K. This series thus represents a promising chemotype that could be used in diseases implicated by imbalances in cathepsin K activity such as osteoporosis. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.001