methyl (2S)-2-[[2-[[2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-hydroxypropanoate | 1078163-84-4

• 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: methyl (2S)-2-[[2-[[2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-hydroxypropanoate
• CAS: 1078163-84-4
• 化学式: C₁₄H₁₉N₇O₇
• 分子量: 397.348
• InChiKey: ZHAFFNSKURSBCE-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  176
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  、 L-丝氨酸甲酯盐酸盐 在 三乙胺 作用下， 以 乙酸乙酯 为溶剂， 生成 methyl (2S)-2-[[2-[[2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-hydroxypropanoate
  参考文献：
  名称：

  Amino Acid Derivatives, VI [1]: Synthesis, Antiviral, and Antimicrobial Evaluation of α-Amino Acid Esters Bearing a 1,2,3-Triazolo[4,5-d]pyrimidinedione Side Chain

  摘要：

  A series of peptide and dipeptide derivatives conjugated with a 1,2,3-triazolo[4,5-d]pyrimidinedione residue were synthesized. The new compounds were evaluated in vitro for cytotoxicity against HAV-27 and HSV-1 and showed moderate activity. The prepared compounds were tested for antimicrobial activity against four different bacterial species, and they displayed different degrees of antibacterial activities or inhibitory actions.

  DOI：

  10.1007/s00706-007-0745-8

文献信息

• Amino Acid Derivatives, VI [1]: Synthesis, Antiviral, and Antimicrobial Evaluation of α-Amino Acid Esters Bearing a 1,2,3-Triazolo[4,5-d]pyrimidinedione Side Chain
  作者：Adel A.-H. Abdel-Rahman

  DOI：10.1007/s00706-007-0745-8

  日期：2008.1

  A series of peptide and dipeptide derivatives conjugated with a 1,2,3-triazolo[4,5-d]pyrimidinedione residue were synthesized. The new compounds were evaluated in vitro for cytotoxicity against HAV-27 and HSV-1 and showed moderate activity. The prepared compounds were tested for antimicrobial activity against four different bacterial species, and they displayed different degrees of antibacterial activities or inhibitory actions.