(1R,2S)-1-amino-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propan-2-ol | 329041-36-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,2S)-1-amino-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propan-2-ol
• CAS: 329041-36-3
• 化学式: C₉H₁₇NO₄
• 分子量: 203.238
• InChiKey: ZVXUVJXJJCJKKP-MZUZGICHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  73.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1R,2S)-1-amino-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propan-2-ol 在 三乙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (2R,3R)-1-[4-(2-Ethyl-benzyloxy)-benzenesulfonyl]-2-methyl-3-(4-methyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-yl)-aziridine
  参考文献：
  名称：

  Synthesis and biological activity of piperazine-Based dual MMP-13 and TNF-α converting enzyme inhibitors

  摘要：

  A series of novel MMP-13 and TNF-alpha converting enzyme inhibitors based on piperazine 2-hydroxamic acid scaffolds are described. The TACE, MMP-1 and MMP-13 activity of these inhibitors as well as the effect of substitution of the piperazine nitro-en and the P-1' benzyloxy tailpiece is discussed. Moderate in vivo activity is observed with several members of this group. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00666-8
• 作为产物：
  描述：

  3-溴甲基-3-甲基-1-氧杂环丁烷 在 palladium on activated charcoal 三氟化硼乙醚 、 氢气 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 (1R,2S)-1-amino-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propan-2-ol
  参考文献：
  名称：

  Synthesis and biological activity of piperazine-Based dual MMP-13 and TNF-α converting enzyme inhibitors

  摘要：

  A series of novel MMP-13 and TNF-alpha converting enzyme inhibitors based on piperazine 2-hydroxamic acid scaffolds are described. The TACE, MMP-1 and MMP-13 activity of these inhibitors as well as the effect of substitution of the piperazine nitro-en and the P-1' benzyloxy tailpiece is discussed. Moderate in vivo activity is observed with several members of this group. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00666-8