Succinic acid (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 ester 4-nitro-phenyl ester | 278168-50-6

• 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: Succinic acid (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 ester 4-nitro-phenyl ester
• 英文别名: 1-O-[(2R,3S,5R)-2-[[[(4-methoxyphenyl)-diphenylmethyl]amino]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 4-O-(4-nitrophenyl) butanedioate
• CAS: 278168-50-6
• 化学式: C₄₀H₃₈N₄O₁₀
• 分子量: 734.763
• InChiKey: UGVVECTWVXPSIC-BMPTZRATSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  54
• 可旋转键数：
  15
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  178
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  1-[(2R,4S,5R)-4-isothiocyanato-5-[[[(4-methoxyphenyl)-diphenylmethyl]amino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione 、 Succinic acid (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 ester 4-nitro-phenyl ester 生成 1-[(2R,3S,5R)-2-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylcarbamothioylamino]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylcarbamothioylamino]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylcarbamothioylamino]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]thiourea
  参考文献：
  名称：

  Solid-phase synthesis of oligomeric deoxynucleic-thiourea (DNT) and deoxynucleic S -methylthiourea (DNmt): a neutral/polycationic analogue of DNA

  摘要：

  A solid-phase synthesis for oligomeric DNmt is reported. Synthesis proceeds in 3'-5' direction and involves coupling of a protected 3'-isothiocyanate with the corresponding 5'-amine of the growing oligo chain. The difference in oligomeric thiourea/ S-methylthiourea binding to DNA is investigated. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00085-8
• 作为产物：
  描述：

  5-叠氮基-5-脱氧胸腺嘧啶脱氧核苷 在 palladium on activated charcoal 吡啶 、 4-二甲氨基吡啶 、 氢气 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 6.0h， 生成 Succinic acid (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 ester 4-nitro-phenyl ester
  参考文献：
  名称：

  Deoxynucleic guanidine

  摘要：

  The synthesis of purine nucleosides capable of making the guanidinium linkage is described for the first time starting from the corresponding 2'-deoxynucleosides. The positively charged mixed base DNG oligomer containing guanine was synthesized on solid-phase using CPG as support from 3' to 5' direction using the precursor building block nucleosides. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.12.043