| 192883-90-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• CAS: 192883-90-2
• 化学式: C₂₄H₂₉N₃O₇S₂
• 分子量: 535.642
• InChiKey: XMCMEHGMASEUTL-GWCJPZCQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.57
• 重原子数：
  36.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  133.45
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  在 palladium on activated charcoal 氢气 、 碳酸氢钠 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 生成 Sodium; (4R,5S,6S)-3-(4-hydroxy-azepane-1-carbothioylsulfanyl)-6-((R)-1-hydroxy-ethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate
  参考文献：
  名称：

  Novel dithiocarbamate carbapenems with anti-MRSA activity

  摘要：

  A new series of 1 beta-methyl carbapenems, in which a disubstituted-aminothiocarbonylthio moiety was attached to the C-2 position of the carbapenem nucleus, were prepared and evaluated for anti-MRSA activity. These derivatives showed good in vitro antibacterial activity against high-level MRSA, and the finding of good affinity for PBP-2' supported these results. Some of the compounds having favorable protein-binding affinity showed excellent in vivo anti-MRSA activity. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00069-8
• 作为产物：
  描述：

  杂氮双环磷酸酯 、 在 lithium chloride 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Novel dithiocarbamate carbapenems1 with anti-MRSA activity

  摘要：

  A new series of carbapenems, in which disubstituted-aminothiocarbonylthio moiety, directly attached to the C-2 position, were prepared and evaluated for their antibacterial potency. These analogs showed potent activity against high-level MRSA, Among them, 9e and 9i were found to exhibit good in vivo efficacy comparable to that of vancomycin, for mouse septicemia model with high-level MRSA. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00272-2