| 1203549-25-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1203549-25-0
• 化学式: C₃₂H₂₆Cl₆N₂O₄
• 分子量: 715.287
• InChiKey: IHLCGJRYCOSRTF-IQLXHWPESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.02
• 重原子数：
  44.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  76.5
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 palladium 10% on activated carbon 、 二苯基膦酰羟胺 、 氢气 、 sodium acetate 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基乙酰胺 、 溶剂黄146 、 mineral oil 为溶剂， 反应 69.5h， 生成 4-amino-7-(2-C-methyl-β-D-ribofuranosyl)pyrrolo[2,1-f][1,2,4]triazine
  参考文献：
  名称：

  Discovery and Synthesis of C-Nucleosides as Potential New Anti-HCV Agents

  摘要：

  Nucleoside analogues have long been recognized as prospects for the discovery of direct acting antivirals (DAM) to treat hepatitis C virus because they have generally exhibited cross-genotype activity and a high barrier to resistance. C-Nucleosides have the potential for improved metabolism and pharmacokinetic properties over their N-nucleoside counterparts due to the presence of a strong carbon carbon glycosidic bond and a non-natural heterocyclic base. Three 2'CMe-C-adenosine analogues and two 2'CMe-guanosine analogues were synthesized and evaluated for their these analogues were found to inhibit the NS5B polymerase, and pharmacokinetic properties demonstrating the potential of this drug anti-HCV efficacy. The nucleotide triphosphates of four of adenosine analogue 1 was discovered to have excellent class.

  DOI：

  10.1021/ml500077j
• 作为产物：
  描述：

  在 三氟化硼乙醚 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 6.92h， 生成
  参考文献：
  名称：

  Discovery and Synthesis of C-Nucleosides as Potential New Anti-HCV Agents

  摘要：

  Nucleoside analogues have long been recognized as prospects for the discovery of direct acting antivirals (DAM) to treat hepatitis C virus because they have generally exhibited cross-genotype activity and a high barrier to resistance. C-Nucleosides have the potential for improved metabolism and pharmacokinetic properties over their N-nucleoside counterparts due to the presence of a strong carbon carbon glycosidic bond and a non-natural heterocyclic base. Three 2'CMe-C-adenosine analogues and two 2'CMe-guanosine analogues were synthesized and evaluated for their these analogues were found to inhibit the NS5B polymerase, and pharmacokinetic properties demonstrating the potential of this drug anti-HCV efficacy. The nucleotide triphosphates of four of adenosine analogue 1 was discovered to have excellent class.

  DOI：

  10.1021/ml500077j

文献信息

• BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS
  申请人：Francom Paula

  公开号：US20100035836A1

  公开（公告）日：2010-02-11

  The present disclosure relates to the use and methods of manufacture of bicyclic nucleosides and nucleotides for the treatment and prevention of infectious and proliferative diseases, including microbial infections and cancer.

  本公开涉及使用和制造双环核苷和核苷酸以治疗和预防感染性和增生性疾病，包括微生物感染和癌症的方法。