methyl 2-[(2S,3R,5R)-2-[[[(4-methoxyphenyl)-diphenylmethyl]amino]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetate | 222844-16-8

• 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: methyl 2-[(2S,3R,5R)-2-[[[(4-methoxyphenyl)-diphenylmethyl]amino]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetate
• CAS: 222844-16-8
• 化学式: C₃₃H₃₅N₃O₆
• 分子量: 569.657
• InChiKey: LQNGOBBWVIMDHF-HCLMJZEPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  42.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  111.65
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  methyl 2-[(2S,3R,5R)-2-[[[(4-methoxyphenyl)-diphenylmethyl]amino]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetate 在 吡啶 、 lithium hydroxide 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 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)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(4-methylphenyl)sulfonyloxymethyl]oxolan-3-yl]acetate 在 palladium on activated charcoal 吡啶 、 叠氮化锂 、 氢气 、 sodium iodide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 25.0~100.0 ℃ 、100.0 kPa 条件下， 反应 48.0h， 生成 methyl 2-[(2S,3R,5R)-2-[[[(4-methoxyphenyl)-diphenylmethyl]amino]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetate
  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