| 196200-65-4

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• CAS: 196200-65-4
• 化学式: C₅₀H₈₂N₄O₁₇Si₂
• 分子量: 1067.39
• InChiKey: XBVIROSNYAMONO-MKQWCXJJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.19
• 重原子数：
  73.0
• 可旋转键数：
  21.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  239.35
• 氢给体数：
  0.0
• 氢受体数：
  21.0

反应信息

• 作为反应物：
  描述：

  在 triethylamine tris(hydrogen fluoride) 作用下， 以 吡啶 为溶剂， 反应 2.0h， 以89%的产率得到
  参考文献：
  名称：

  Design and synthesis of a possible mimic of a thrombin-binding DNA aptamer

  摘要：

  A synthesis is presented of the cyclic trimeric d-oligonucleotide 3'-isopropylphosphate I, comprising one formacetal and two (3' --> 5')-internucleosidic phosphodiester bonds, The ester linkages connect d-guanosine with the 3' and 5' ends of thymidine and 5-hydroxymethyl-2'-deoxyuridine-3'-isopropylphosphate (HMDUpiPr), respectively. The 5'-end of the thymidine unit is anchored via the formacetal bond to the allylic hydroxyl group of HMDUpiPr. The cyclic arrangement of the three d-nucleosides in I mimics, as based on molecular modeling, the key structural features of the conformationally constrained T(7)pG(8)pT(9) p-domain of the thrombin-binding DNA aptamer d(G(1)G(2)T(3)T(4)G(5)G(6)T(7)G(8)T(9)G(10)G(11)T(12)T(13)G(14)G(15)). Biological evaluation showed that compound I did not exhibit anti-thrombin activity. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00351-x
• 作为产物：
  描述：

  5'-O-(4,4'-dimethoxytrityl)-3'-O-levulinoyl-thymidine 在 2,6-二甲基吡啶 、 N-碘代丁二酰亚胺 、 三氟甲磺酸 、 potassium carbonate 、 对甲苯磺酸 、 过氧化苯甲酰 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 8.16h， 生成
  参考文献：
  名称：

  Design and synthesis of a possible mimic of a thrombin-binding DNA aptamer

  摘要：

  A synthesis is presented of the cyclic trimeric d-oligonucleotide 3'-isopropylphosphate I, comprising one formacetal and two (3' --> 5')-internucleosidic phosphodiester bonds, The ester linkages connect d-guanosine with the 3' and 5' ends of thymidine and 5-hydroxymethyl-2'-deoxyuridine-3'-isopropylphosphate (HMDUpiPr), respectively. The 5'-end of the thymidine unit is anchored via the formacetal bond to the allylic hydroxyl group of HMDUpiPr. The cyclic arrangement of the three d-nucleosides in I mimics, as based on molecular modeling, the key structural features of the conformationally constrained T(7)pG(8)pT(9) p-domain of the thrombin-binding DNA aptamer d(G(1)G(2)T(3)T(4)G(5)G(6)T(7)G(8)T(9)G(10)G(11)T(12)T(13)G(14)G(15)). Biological evaluation showed that compound I did not exhibit anti-thrombin activity. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00351-x