N-{[6-(Methylamino)-7H-purin-7-yl]acetyl}-L-aspartic acid | 918334-46-0

• 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: N-{[6-(Methylamino)-7H-purin-7-yl]acetyl}-L-aspartic acid
• 英文别名: (2S)-2-[[2-[6-(methylamino)purin-7-yl]acetyl]amino]butanedioic acid
• CAS: 918334-46-0
• 化学式: C₁₂H₁₄N₆O₅
• 分子量: 322.28
• InChiKey: KSZKSXUAYIIIOP-LURJTMIESA-N

物化性质

• 密度：
  1.70±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  159
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  溴乙酸 、 6-甲基腺素 、 alkaline earth salt of/the/ methylsulfuric acid 生成 N-{[6-(Methylamino)-7H-purin-7-yl]acetyl}-L-aspartic acid 、 (2S)-2-[[2-[6-(methylamino)purin-3-yl]acetyl]amino]butanedioic acid 、 L-Aspartic acid, N-[2-[6-(methylamino)-9H-purin-9-yl]acetyl]-
  参考文献：
  名称：

  Synthesis of Potential Purinoceptor Antagonists: Application of P1-tBu Phosphazene Base for Alkylation of Adenine in Solution and on Solid Phase

  摘要：

  Alkylation of adenine in solution and on solid phase was accelerated by phosphazene base P1-tBu compared to mineral bases. The reactions in solution afforded regioselectively the appropriate N9-alkylated adenines with high preparative yields while the reaction with polystyrene resin-bound N-bromoacetylated peptides gave three regioisomers (alkylated at the N9, N7, and N3 position of adenine) in a 4:2:1 molar ratio. Ten novel nonphosphate nucleotide analogues were tested in an ADP-induced platelet aggregation assay.

  DOI：

  10.1080/15257770500446857

文献信息

• Synthesis of Potential Purinoceptor Antagonists: Application of P1-tBu Phosphazene Base for Alkylation of Adenine in Solution and on Solid Phase
  作者：Erki Enkvist、Gerda Raidaru、Asko Uri、Roshni Patel、Catherine Redick、José L. Boyer、Juhan Subbi、Indrek Tammiste

  DOI：10.1080/15257770500446857

  日期：2006.1

  Alkylation of adenine in solution and on solid phase was accelerated by phosphazene base P1-tBu compared to mineral bases. The reactions in solution afforded regioselectively the appropriate N9-alkylated adenines with high preparative yields while the reaction with polystyrene resin-bound N-bromoacetylated peptides gave three regioisomers (alkylated at the N9, N7, and N3 position of adenine) in a 4:2:1 molar ratio. Ten novel nonphosphate nucleotide analogues were tested in an ADP-induced platelet aggregation assay.