[(2R,3S,5R)-2-({[(4-Methoxy-phenyl)-diphenyl-methyl]-amino}-methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-ylamino]-acetic acid methyl ester | 209255-53-8

• 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: [(2R,3S,5R)-2-({[(4-Methoxy-phenyl)-diphenyl-methyl]-amino}-methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-ylamino]-acetic acid methyl ester
• CAS: 209255-53-8
• 化学式: C₃₃H₃₆N₄O₆
• 分子量: 584.672
• InChiKey: VGXZKTPZYRINSP-ZGIBFIJWSA-N

物化性质

• 密度：
  1.307±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.85
• 重原子数：
  43.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  123.68
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  [(2R,3S,5R)-2-({[(4-Methoxy-phenyl)-diphenyl-methyl]-amino}-methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-ylamino]-acetic acid methyl ester 在 TEA 、 水 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 0.75h， 生成 [[(2R,3S,5R)-2-({[(4-Methoxy-phenyl)-diphenyl-methyl]-amino}-methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl]-(2,2,2-trifluoro-acetyl)-amino]-acetic acid
  参考文献：
  名称：

  Synthesis of DNA analogues with novel carboxamidomethyl phosphonamide and glycinamide internucleoside linkages

  摘要：

  Thymidine oligonucleotide analogues with phosphodiester bonds fully substituted by carboxamidomethyl phosphonamide, or glycinamide linkages were synthesized on a solid support, and their hybridization properties toward DNA and RNA targets were determined by Tm analysis. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00153-x
• 作为产物：
  描述：

  5'-monomethoxytritylamino-2',5'-dideoxythymidine 在 吡啶 、 ammonium hydroxide 、 sodium azide 、 N,N-二异丙基乙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 12.5h， 生成 [(2R,3S,5R)-2-({[(4-Methoxy-phenyl)-diphenyl-methyl]-amino}-methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-ylamino]-acetic acid methyl ester
  参考文献：
  名称：

  Synthesis of DNA analogues with novel carboxamidomethyl phosphonamide and glycinamide internucleoside linkages

  摘要：

  Thymidine oligonucleotide analogues with phosphodiester bonds fully substituted by carboxamidomethyl phosphonamide, or glycinamide linkages were synthesized on a solid support, and their hybridization properties toward DNA and RNA targets were determined by Tm analysis. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00153-x