[(2S,3R,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]-acetic acid | 222844-24-8

• 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: [(2S,3R,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]-acetic acid
• 英文别名: 2-[(2S,3R,5R)-2-[[[(4-methoxyphenyl)-diphenylmethyl]amino]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetic acid
• CAS: 222844-24-8
• 化学式: C₃₂H₃₃N₃O₆
• 分子量: 555.631
• InChiKey: RPRQYQGLRNFGSV-MWVDVNALSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.81
• 重原子数：
  41.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  122.65
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  三氟乙酸五氟苯酯 、 [(2S,3R,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]-acetic acid 在 吡啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 [(2S,3R,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]-acetic acid pentafluorophenyl ester
  参考文献：
  名称：

  2′-deoxyribo-PNAs: A structurally novel class of polyamide nucleic acids with good RNA and DNA binding affinity

  摘要：

  2'-Deoxyribo polyamide nucleic acids (2'-deoxyribo-PNAs) 3 are a new class of DNA analogs with a 2',3'-dideoxyribose-polyamide backbone structure. 2'-Deoxyribo-PNAs as well as chimeric oligonucleotide analogs with a mixed DNA / 2'-deoxyribo-PNA structure bind to single stranded complementary nucleic acids with similar affinities as natural DNA. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00389-5
• 作为产物：
  描述：

  methyl 2-[(2S,3R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetate 在 palladium on activated charcoal 吡啶 、 4-二甲氨基吡啶 、 lithium hydroxide 、 叠氮化锂 、 四丁基氟化铵 、 氢气 、 sodium iodide 作用下， 以 四氢呋喃 、 甲醇 、 氯仿 、 水 、 N,N-二甲基甲酰胺 为溶剂， 100.0 ℃ 、100.0 kPa 条件下， 反应 70.0h， 生成 [(2S,3R,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]-acetic acid
  参考文献：
  名称：

  2′-deoxyribo-PNAs: A structurally novel class of polyamide nucleic acids with good RNA and DNA binding affinity

  摘要：

  2'-Deoxyribo polyamide nucleic acids (2'-deoxyribo-PNAs) 3 are a new class of DNA analogs with a 2',3'-dideoxyribose-polyamide backbone structure. 2'-Deoxyribo-PNAs as well as chimeric oligonucleotide analogs with a mixed DNA / 2'-deoxyribo-PNA structure bind to single stranded complementary nucleic acids with similar affinities as natural DNA. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00389-5