adenosine-3'-(1-aminoethyl)phosphonate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: adenosine-3'-(1-aminoethyl)phosphonate
• 英文别名: 3'-(1-aminoethyl phosphonyl)adenosine；O^3'-[(1-amino-ethyl)-hydroxy-phosphinoyl]-adenosine；(1-amino-ethyl)-phosphonic acid adenosin-3'-yl ester；3'-O-(1-Amino-ethan-1-phosphonyl)-adenosin；[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-(1-azaniumylethyl)phosphinate
• 化学式: C₁₂H₁₉N₆O₆P
• 分子量: 374.293
• InChiKey: ZFWYOPCOLVBHAT-NRJACJQQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.9
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  192
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  6-N-benzoyl-5'-O-tert-butyldimethylsilyladenosine 、 N-benzyloxycarbonyl-α-aminoethylphosphonic acid 生成 adenosine-3'-(1-aminoethyl)phosphonate 、 adenosine-2'-(1-aminoethyl)phosphonate
  参考文献：
  名称：

  Adenosine phosphonate inhibitors of lipid II: Alanyl tRNA ligase MurM from Streptococcus pneumoniae

  摘要：

  Adenosine and 2 '-deoxyadenosine phosphonate transition state analogues act as the first inhibitors for the MurMN/FemABX family of tRNA-dependent ligases implicated in high-level penicillin resistance in Gram-positive bacteria. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.071

文献信息

• Adenosine phosphonate inhibitors of lipid II: Alanyl tRNA ligase MurM from Streptococcus pneumoniae
  作者：Elena Cressina、Adrian J. Lloyd、Gianfranco De Pascale、David I. Roper、Christopher G. Dowson、Timothy D.H. Bugg

  DOI：10.1016/j.bmcl.2007.05.071

  日期：2007.8

  Adenosine and 2 '-deoxyadenosine phosphonate transition state analogues act as the first inhibitors for the MurMN/FemABX family of tRNA-dependent ligases implicated in high-level penicillin resistance in Gram-positive bacteria. (c) 2007 Elsevier Ltd. All rights reserved.