Naphthalene-2-carboxylic acid [(S)-1-((3S,4R)-4-hydroxy-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butyl]-amide | 215940-82-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Naphthalene-2-carboxylic acid [(S)-1-((3S,4R)-4-hydroxy-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butyl]-amide
• CAS: 215940-82-2
• 化学式: C₂₁H₂₆N₂O₄
• 分子量: 370.448
• InChiKey: JJPZJMRODBBPOZ-FHWLQOOXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.86
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  87.66
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  Naphthalene-2-carboxylic acid [(S)-1-((3S,4R)-4-hydroxy-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butyl]-amide 以 二氯甲烷 为溶剂， 生成 Naphthalene-2-carboxylic acid [(S)-3-methyl-1-((S)-4-oxo-tetrahydro-furan-3-ylcarbamoyl)-butyl]-amide
  参考文献：
  名称：

  Diastereoselective synthesis, activity and chiral stability of cyclic alkoxyketone inhibitors of cathepsin K

  摘要：

  The diastereoselective synthesis of a novel class of cathepsin K inhibitors together with their cathepsin K affinity and stability towards aqueous buffer is reported. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(00)00627-2
• 作为产物：
  描述：

  [(S)-1-((3S,4R)-4-Hydroxy-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester 在 palladium on activated charcoal 氢气 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 Naphthalene-2-carboxylic acid [(S)-1-((3S,4R)-4-hydroxy-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butyl]-amide
  参考文献：
  名称：

  Diastereoselective synthesis, activity and chiral stability of cyclic alkoxyketone inhibitors of cathepsin K

  摘要：

  The diastereoselective synthesis of a novel class of cathepsin K inhibitors together with their cathepsin K affinity and stability towards aqueous buffer is reported. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(00)00627-2