MRS 2397 | 374593-60-9

• 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: MRS 2397
• 英文别名: [(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-(6-oxo-1H-purin-9-yl)-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
• CAS: 374593-60-9
• 化学式: C₁₂H₁₅N₄O₇P
• 分子量: 358.247
• InChiKey: WGWDMWZYYJSDFQ-PHPBVZTRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.3
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  167
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  MRS 2397 在 N,N'-羰基二咪唑 、 pyrophosphate tetrabutylammonium salt 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 MRS 2398
  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 四氮唑 、 Dowex resin 50*8-200 、 sodium methylate 、 2-巯基乙醇 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 3.0h， 生成 MRS 2397
  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

文献信息

• Synthesis and purine receptor affinity of 6-oxopurine nucleosides and nucleotides containing (N)-methanocarba-pseudoribose rings
  作者：Gnana Ravi、Kyeong Lee、Xiao-duo Ji、Hak Sung Kim、Kelly A. Soltysiak、Victor E. Marquez、Kenneth A. Jacobson

  DOI：10.1016/s0960-894x(01)00450-4

  日期：2001.9

  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.