(4-nitrophenyl)methyl (4S,5R,6S)-3-[7-(iodomethyl)-9-oxofluoren-3-yl]-4-methyl-7-oxo-6-[(1R)-1-triethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | 169957-60-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: (4-nitrophenyl)methyl (4S,5R,6S)-3-[7-(iodomethyl)-9-oxofluoren-3-yl]-4-methyl-7-oxo-6-[(1R)-1-triethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• CAS: 169957-60-2
• 化学式: C₃₇H₃₉IN₂O₇Si
• 分子量: 778.716
• InChiKey: FDINFBZXFRTWIM-LXTHUPMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.08
• 重原子数：
  48
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (4-nitrophenyl)methyl (4S,5R,6S)-3-[7-(iodomethyl)-9-oxofluoren-3-yl]-4-methyl-7-oxo-6-[(1R)-1-triethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate 在 盐酸 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Dicationic 2-fluorenonylcarbapenems: Potent anti-MRS agents with improved solubility and pharmacokinetic properties

  摘要：

  The synthesis and biological evaluation of a series of dicationic-substituted 2-fluorenonylcarbapenems is described. This class of compounds showed enhanced water solubility while maintaining potent activity against MRS. Introduction of a beta 1--methyl substituent was found to improve pharmacokinetics. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00567-3
• 作为产物：
  描述：

  (4S,5R,6S)-3-(7-Methanesulfonyloxymethyl-9-oxo-9H-fluoren-3-yl)-4-methyl-7-oxo-6-((R)-1-triethylsilanyloxy-ethyl)-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid 4-nitro-benzyl ester 在 sodium iodide 作用下， 以 丙酮 为溶剂， 生成 (4-nitrophenyl)methyl (4S,5R,6S)-3-[7-(iodomethyl)-9-oxofluoren-3-yl]-4-methyl-7-oxo-6-[(1R)-1-triethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
  参考文献：
  名称：

  Dicationic 2-fluorenonylcarbapenems: Potent anti-MRS agents with improved solubility and pharmacokinetic properties

  摘要：

  The synthesis and biological evaluation of a series of dicationic-substituted 2-fluorenonylcarbapenems is described. This class of compounds showed enhanced water solubility while maintaining potent activity against MRS. Introduction of a beta 1--methyl substituent was found to improve pharmacokinetics. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00567-3