1-[(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl]-3-[(2S,3S,5R)-2-[(4-methoxy-phenyl)-diphenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl]-thiourea | 152873-32-0

• 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: 1-[(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl]-3-[(2S,3S,5R)-2-[(4-methoxy-phenyl)-diphenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl]-thiourea
• 英文别名: 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-[(2S,3S,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]thiourea
• CAS: 152873-32-0
• 化学式: C₄₁H₄₄N₆O₉S
• 分子量: 796.901
• InChiKey: NYUXRYOWHVOLJE-LOPAVLPLSA-N

物化性质

• 密度：
  1.44±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  57
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  212
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2-氰乙基N,N-二异丙基氯亚磷酰胺 、 1-[(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl]-3-[(2S,3S,5R)-2-[(4-methoxy-phenyl)-diphenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl]-thiourea 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1-[[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-[(2S,3S,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]thiourea
  参考文献：
  名称：

  Incorporation of positively charged deoxynucleic S-Methylthiourea linkages into oligodeoxyribonucleotides

  摘要：

  Oligodeoxyribonucleic acids (15- and 18-mers) containing both negatively charged phosphate and positively charged S-methyl thiourea internucleoside linkages (DNmt/DNA chimera) have been synthesized. DNA binding characteristics and nuclease resistance of DNmt/DNA chimera have been evaluated. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00455-3
• 作为产物：
  描述：

  4-甲氧基三苯基氯甲烷 在 palladium on activated charcoal 吡啶 、 4-二甲氨基吡啶 、 邻苯二甲酸亚胺 、 叠氮化锂 、 TEA 、 氢气 作用下， 以 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 1-[(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl]-3-[(2S,3S,5R)-2-[(4-methoxy-phenyl)-diphenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl]-thiourea
  参考文献：
  名称：

  Incorporation of positively charged deoxynucleic S-Methylthiourea linkages into oligodeoxyribonucleotides

  摘要：

  Oligodeoxyribonucleic acids (15- and 18-mers) containing both negatively charged phosphate and positively charged S-methyl thiourea internucleoside linkages (DNmt/DNA chimera) have been synthesized. DNA binding characteristics and nuclease resistance of DNmt/DNA chimera have been evaluated. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00455-3

文献信息

• Vandendriessche, Frank; Aerschot, Arthur Van; Voortmans, Martine, Journal of the Chemical Society. Perkin transactions I, 1993, # 14, p. 1567 - 1576
  作者：Vandendriessche, Frank、Aerschot, Arthur Van、Voortmans, Martine、Janssen, Gerard、Busson, Roger、et al.

  DOI：——

  日期：——