Diphenyl-carbamic acid 9-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-2-methylamino-9H-purin-6-yl ester | 224302-82-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: Diphenyl-carbamic acid 9-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-2-methylamino-9H-purin-6-yl ester
• CAS: 224302-82-3
• 化学式: C₄₅H₄₂N₆O₇
• 分子量: 778.864
• InChiKey: PNXFOBJVWCOYQO-LCKTVPPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.88
• 重原子数：
  58.0
• 可旋转键数：
  13.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  142.32
• 氢给体数：
  2.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  bis(diisopropylamino) hydrogen phosphite 、 丙腈 、 Diphenyl-carbamic acid 9-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-2-methylamino-9H-purin-6-yl ester 在 二异丙基铵盐四氮唑 作用下， 生成 [9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-(methylamino)purin-6-yl] N,N-diphenylcarbamate
  参考文献：
  名称：

  Biologically active oligodeoxyribonucleotides. Part 12:1 N2-Methylation of 2′-deoxyguanosines enhances stability of parallel G-quadruplex and anti-HIV-1 activity

  摘要：

  2'-Deoxyguanosine residues of a 3',5'-end-modified hexadeoxyribonucleotide (R-95288) with anti-HIV-1 activity were substituted with N-2-methyl-2'-deoxyguanosine (m(2)dG). These modified oligodeoxyribonucleotides (ODNs) showed a 2-fold higher activity than R-95288. Also, the CD spectra of these ODNs indicated that the m(2)dG modification stabilized the tertiary structure of the G-quadruplex. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00432-7
• 作为产物：
  描述：

  在 吡啶 、 sodium tetrahydroborate 、 四丁基氟化铵 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 生成 Diphenyl-carbamic acid 9-{(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-2-methylamino-9H-purin-6-yl ester
  参考文献：
  名称：

  Biologically active oligodeoxyribonucleotides. Part 12:1 N2-Methylation of 2′-deoxyguanosines enhances stability of parallel G-quadruplex and anti-HIV-1 activity

  摘要：

  2'-Deoxyguanosine residues of a 3',5'-end-modified hexadeoxyribonucleotide (R-95288) with anti-HIV-1 activity were substituted with N-2-methyl-2'-deoxyguanosine (m(2)dG). These modified oligodeoxyribonucleotides (ODNs) showed a 2-fold higher activity than R-95288. Also, the CD spectra of these ODNs indicated that the m(2)dG modification stabilized the tertiary structure of the G-quadruplex. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00432-7