fMRTGNAG-SA | 1341125-37-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: fMRTGNAG-SA
• CAS: 1341125-37-8
• 化学式: C₃₇H₅₉N₁₇O₁₆S₂
• 分子量: 1062.11
• InChiKey: AGRLWKQTVQQZEM-YEELYNKWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.02
• 重原子数：
  72.0
• 可旋转键数：
  30.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  520.7
• 氢给体数：
  16.0
• 氢受体数：
  23.0

反应信息

• 作为产物：
  描述：

  [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]pentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]acetyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]propanoyl]amino]acetyl]sulfamate 在 茴香硫醚 、 三氟乙酸 作用下， 以 水 为溶剂， 反应 2.0h， 以1.8 mg的产率得到fMRTGNAG-SA
  参考文献：
  名称：

  Extended targeting potential and improved synthesis of Microcin C analogs as antibacterials

  摘要：

  Microcin C (McC) (1) is a potent antibacterial compound produced by some Escherichia coli strains. McC functions through a Trojan-Horse mechanism: it is actively taken up inside a sensitive cell through the function of the YejABEF-transporter and then processed by cellular aminopeptidases. Processed McC (2) is a non-hydrolysable aspartyl-adenylate analog that inhibits aspartyl-tRNA synthetase (AspRS). A new synthesis is described that allows for the production of a wide variety of McC analogs in acceptable amounts. Using this synthesis a number of diverse compounds was synthesized with altered target specificity. Further characteristics of the YejABEF transporters were determined using these compounds. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.07.052