1,2:3,4-di-O-isopropylidene-6-O-[3-(2-methyl-4-nitroimidazolyl)-2-(4-trifluoromethoxy)benzyloxypropyl]-α-D-galactopyranose | 1333220-37-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧吡喃
• 英文名称: 1,2:3,4-di-O-isopropylidene-6-O-[3-(2-methyl-4-nitroimidazolyl)-2-(4-trifluoromethoxy)benzyloxypropyl]-α-D-galactopyranose
• 英文别名: 2-methyl-4-nitro-1-[3-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-2-[[4-(trifluoromethoxy)phenyl]methoxy]propyl]imidazole
• CAS: 1333220-37-3
• 化学式: C₂₇H₃₄F₃N₃O₁₀
• 分子量: 617.576
• InChiKey: XZFHHHPDECWTQN-KLMAIDMNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  43
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  6-O-(2,3-Epoxypropyl)-1,2:3,4-di-O-isopropylidene-α-D-galactopyranose 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 5.5h， 生成 1,2:3,4-di-O-isopropylidene-6-O-[3-(2-methyl-4-nitroimidazolyl)-2-(4-trifluoromethoxy)benzyloxypropyl]-α-D-galactopyranose
  参考文献：
  名称：

  Synthesis and screening of galactose-linked nitroimidazoles and triazoles against Mycobacterium tuberculosis

  摘要：

  A series of galactose-linked nitroimidazoles/triazoles were synthesised and screened against Mycobacterium tuberculosis H(37)Rv. Preliminary results were promising with MIC values in the range 1.56-12.5 mu g/mL. Most importantly they are active under aerobic condition under which metronidazole is inactive. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.05.045

文献信息

• Synthesis and screening of galactose-linked nitroimidazoles and triazoles against Mycobacterium tuberculosis
  作者：G. Mugunthan、Kuppala Ramakrishna、Dharmarajan Sriram、Perumal Yogeeswari、K.P. Ravindranathan Kartha

  DOI：10.1016/j.ejmech.2011.05.045

  日期：2011.9

  A series of galactose-linked nitroimidazoles/triazoles were synthesised and screened against Mycobacterium tuberculosis H(37)Rv. Preliminary results were promising with MIC values in the range 1.56-12.5 mu g/mL. Most importantly they are active under aerobic condition under which metronidazole is inactive. (C) 2011 Elsevier Masson SAS. All rights reserved.