(4R,5S,6S)-3-(dimethylcarbamothioylsulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: (4R,5S,6S)-3-(dimethylcarbamothioylsulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• 化学式: C₁₃H₁₈N₂O₄S₂
• 分子量: 330.429
• InChiKey: MBIAZELUQDLFPJ-WCTZXXKLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  杂氮双环磷酸酯 在 palladium on activated charcoal 氢气 、 碳酸氢钠 、 lithium chloride 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 (4R,5S,6S)-3-(dimethylcarbamothioylsulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  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

文献信息

• Novel dithiocarbamate carbapenems1 with anti-MRSA activity
  作者：Norikazu Ohtake、Hideaki Imamura、Hideo Kiyonaga、Hideki Jona、Masayuki Ogawa、Shigemitsu Okada、Aya Shimizu、Minoru Moriya、Hiroki Sato、Yushin Tominaga、Koji Yamada、Masato Nakano、Ryosuke Ushijima、Susumu Nakagawa

  DOI：10.1016/s0960-894x(97)00272-2

  日期：1997.7

  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.