7-((1aR,1bR,4aS,5R,5aS)-1a-Benzyloxymethyl-3,3-dimethyl-hexahydro-2,4-dioxa-cyclopropa[a]pentalen-5-yl)-1,3-dibutyl-3,7-dihydro-purine-2,6-dione | 374593-68-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 7-((1aR,1bR,4aS,5R,5aS)-1a-Benzyloxymethyl-3,3-dimethyl-hexahydro-2,4-dioxa-cyclopropa[a]pentalen-5-yl)-1,3-dibutyl-3,7-dihydro-purine-2,6-dione
• CAS: 374593-68-7
• 化学式: C₃₀H₄₀N₄O₅
• 分子量: 536.671
• InChiKey: IBGUBJBRMDQUSJ-JNAGTWLXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.26
• 重原子数：
  39.0
• 可旋转键数：
  11.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  89.51
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  7-((1aR,1bR,4aS,5R,5aS)-1a-Benzyloxymethyl-3,3-dimethyl-hexahydro-2,4-dioxa-cyclopropa[a]pentalen-5-yl)-1,3-dibutyl-3,7-dihydro-purine-2,6-dione 在 四氮唑 、 甲酸 、 Dowex resin 50*8-200 、 钯 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 38.0h， 生成
  参考文献：
  名称：

  Synthesis and purine receptor affinity of 6-oxopurine nucleosides and nucleotides containing (N)-methanocarba-pseudoribose rings

  摘要：

  6-Oxopurine derivatives containing a northern (N) methanocarba modification (i.e., fused cyclopropane and cyclopentane rings in place of the ribose) were synthesized and the adenosine receptor affinity measured. Guanine or hypoxanthine was coupled at the 7-position, or 1,3-diblitylxanthine was coupled at the 9-position. The pseudoribose ring was also substituted at the 5 ' -position with an N-methyluronamide or with phosphate groups. Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(01)00450-4
• 作为产物：
  描述：

  1,3-二-正-丁基黄嘌呤 、 (1R,2R,4S,5S,6S)-8,8-dimethyl-2-(phenylmethoxymethyl)-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-ol 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以88%的产率得到7-((1aR,1bR,4aS,5R,5aS)-1a-Benzyloxymethyl-3,3-dimethyl-hexahydro-2,4-dioxa-cyclopropa[a]pentalen-5-yl)-1,3-dibutyl-3,7-dihydro-purine-2,6-dione
  参考文献：
  名称：

  Synthesis and purine receptor affinity of 6-oxopurine nucleosides and nucleotides containing (N)-methanocarba-pseudoribose rings

  摘要：

  6-Oxopurine derivatives containing a northern (N) methanocarba modification (i.e., fused cyclopropane and cyclopentane rings in place of the ribose) were synthesized and the adenosine receptor affinity measured. Guanine or hypoxanthine was coupled at the 7-position, or 1,3-diblitylxanthine was coupled at the 9-position. The pseudoribose ring was also substituted at the 5 ' -position with an N-methyluronamide or with phosphate groups. Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(01)00450-4