N2,N6-dibenzoyl-2-aminoadenosine | 159639-71-1

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: N2,N6-dibenzoyl-2-aminoadenosine
• 英文别名: N²,N⁶-dibenzoyl-2-aminoadenosine
• CAS: 159639-71-1
• 化学式: C₂₄H₂₂N₆O₆
• 分子量: 490.475
• InChiKey: CWOUNZNKHMSETO-CXIOKZBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.94
• 重原子数：
  36.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  171.72
• 氢给体数：
  5.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  N2,N6-dibenzoyl-2-aminoadenosine 在 吡啶 、 氨 、 N,N'-二环己基碳二亚胺 作用下， 反应 136.0h， 生成
  参考文献：
  名称：

  Interaction of (2′ -5′) and (3′ -5′) Linked 2-Aminoadenylyl-3-aminoadenosines with Polyuridylic Acid

  摘要：

  2'-5' and 3'-5' linked 2-aminoadenylyl-2-aminoadenosines [(2'-5')n(2)Apn(2)A (1) and (3'-5')n(2)Apn(2)A (2)] were synthesized by condensation of 5'-O-monomethoxytrityl- N-2, N-6-dibenzoyl-2-aminoadenosine and N-2, N-6, 2', 3'-O-tetrabenzoyl-2-aminoadenosine 5'-phosphate using dicyclohexylcarbodiimide (DCC). The conformational properties of these dimers 1 and 2 were examined by UV, NMR and CD spectroscopy. The results reveal that the 2'-5'-isomer 1 takes a stacked conformation, which contains a larger base-base overlap and is more stable against thermal perturbation with respect to the 3'-5'-isomer 2. Interactions of 1 and 2 with polyuridylic acid (Poly (U)) were also examined by Tm,mixing curves, UV and CD spectra. Both the dinucleoside isomers 1 and 2 formed a complex of 1:2 stoichiometry with poly(U), which was much more stable than that of the corresponding ApA isomer.

  DOI：

  10.1080/15257779508009488
• 作为产物：
  描述：

  苯甲酰氯 、 2-氨基腺嘌呤核苷 在 吡啶 、 sodium hydroxide 作用下， 生成 N2,N6-dibenzoyl-2-aminoadenosine
  参考文献：
  名称：

  Interaction of (2′ -5′) and (3′ -5′) Linked 2-Aminoadenylyl-3-aminoadenosines with Polyuridylic Acid

  摘要：

  2'-5' and 3'-5' linked 2-aminoadenylyl-2-aminoadenosines [(2'-5')n(2)Apn(2)A (1) and (3'-5')n(2)Apn(2)A (2)] were synthesized by condensation of 5'-O-monomethoxytrityl- N-2, N-6-dibenzoyl-2-aminoadenosine and N-2, N-6, 2', 3'-O-tetrabenzoyl-2-aminoadenosine 5'-phosphate using dicyclohexylcarbodiimide (DCC). The conformational properties of these dimers 1 and 2 were examined by UV, NMR and CD spectroscopy. The results reveal that the 2'-5'-isomer 1 takes a stacked conformation, which contains a larger base-base overlap and is more stable against thermal perturbation with respect to the 3'-5'-isomer 2. Interactions of 1 and 2 with polyuridylic acid (Poly (U)) were also examined by Tm,mixing curves, UV and CD spectra. Both the dinucleoside isomers 1 and 2 formed a complex of 1:2 stoichiometry with poly(U), which was much more stable than that of the corresponding ApA isomer.

  DOI：

  10.1080/15257779508009488