| 374593-53-0

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 核苷和核苷酸类似物
• CAS: 374593-53-0
• 化学式: C₁₅H₁₈N₄O₄
• 分子量: 318.332
• InChiKey: SXOYCDFORAHXQP-LCNRAPRPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.61
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  102.52
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 ruthenium trichloride 、 sodium periodate 作用下， 以 氯仿 、 水 、 乙腈 为溶剂， 反应 6.0h， 以53.4%的产率得到(1aS,1bR,4aS,5R,5aS)-5-(6-Hydroxy-purin-9-yl)-3,3-dimethyl-tetrahydro-2,4-dioxa-cyclopropa[a]pentalene-1a-carboxylic acid
  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'R,2'R,3'S,4'R,5'S)-4-(6-chloropurine-9-yl)-1-(hydroxymethyl)bicyclo[3.1.0]hexane-2,3-(O-isopropylidene) 在 sodium methylate 、 2-巯基乙醇 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以98%的产率得到
  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