(S)-2,2-Dimethyl-6-phenyl-hexan-3-ol | 866004-51-5

• 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: (S)-2,2-Dimethyl-6-phenyl-hexan-3-ol
• CAS: 866004-51-5
• 化学式: C₁₄H₂₂O
• 分子量: 206.328
• InChiKey: YUHRTPIYSQFBFK-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.42
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (S)-2,2-Dimethyl-6-phenyl-hexan-3-ol 在 lithium hydroxide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 (S)-2-((S)-1-tert-Butyl-4-phenyl-butoxycarbonylamino)-hexanoic acid
  参考文献：
  名称：

  Design of small molecule ketoamide-based inhibitors of cathepsin K

  摘要：

  A novel series of ketoamide-based inhibitors of cathepsin K has been identified. Modifications to p(2) and p(3) elements were crucial to enhancing inhibitory activity. Although not optimized, a selected inhibitor was effective in attenuating type 1 collagen hydrolysis in a surrogate assay of bone resorption. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.029
• 作为产物：
  描述：

  3-phenylpropyl-magnesium bromide 、 特戊醛 生成 (R)-2,2-Dimethyl-6-phenyl-hexan-3-ol 、 (S)-2,2-Dimethyl-6-phenyl-hexan-3-ol
  参考文献：
  名称：

  Design of small molecule ketoamide-based inhibitors of cathepsin K

  摘要：

  A novel series of ketoamide-based inhibitors of cathepsin K has been identified. Modifications to p(2) and p(3) elements were crucial to enhancing inhibitory activity. Although not optimized, a selected inhibitor was effective in attenuating type 1 collagen hydrolysis in a surrogate assay of bone resorption. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.029