| 203384-06-9

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• CAS: 203384-06-9
• 化学式: C₂₂H₃₁N₅O₈
• 分子量: 493.517
• InChiKey: BPQMQUKVIYJQRT-XVZIYINBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.97
• 重原子数：
  35.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  163.99
• 氢给体数：
  2.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  生成 N⁶-[(L)-2-(1-hydroxy-4-methyl)pentyl]adenosine
  参考文献：
  名称：

  New base-altered adenosine analogues: Synthesis and affinity at adenosine A1 and A2A receptors

  摘要：

  N-6-Substituted adenosine analogues containing cyclic hydrazines or chiral hydroxy (ar)alkyl groups, designed to interact with the S2 and S3 receptor subregions, have been synthesized and their binding to the adenosine A(1) and A(2A) receptors have been investigated. Examples of both types of compounds were found to exhibit highly selective binding (K-i in low nM range) to the rat A(1) receptor. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10177-9
• 作为产物：
  描述：

  2',3',5'-三乙酰腺苷 在 二碘甲烷 、 亚硝酸正戊酯 、 三乙胺 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  New base-altered adenosine analogues: Synthesis and affinity at adenosine A1 and A2A receptors

  摘要：

  N-6-Substituted adenosine analogues containing cyclic hydrazines or chiral hydroxy (ar)alkyl groups, designed to interact with the S2 and S3 receptor subregions, have been synthesized and their binding to the adenosine A(1) and A(2A) receptors have been investigated. Examples of both types of compounds were found to exhibit highly selective binding (K-i in low nM range) to the rat A(1) receptor. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10177-9