(1R,9R,10R)-10-({[(4-Methoxy-phenyl)-diphenyl-methyl]-amino}-methyl)-4-methyl-8,11-dioxa-2,6-diaza-tricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one | 209255-47-0

• 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: (1R,9R,10R)-10-({[(4-Methoxy-phenyl)-diphenyl-methyl]-amino}-methyl)-4-methyl-8,11-dioxa-2,6-diaza-tricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one
• CAS: 209255-47-0
• 化学式: C₃₀H₂₉N₃O₄
• 分子量: 495.578
• InChiKey: QHVMNANJUCEDRG-ZONZVBGPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.19
• 重原子数：
  37.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  74.61
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (1R,9R,10R)-10-({[(4-Methoxy-phenyl)-diphenyl-methyl]-amino}-methyl)-4-methyl-8,11-dioxa-2,6-diaza-tricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one 在 叠氮化锂 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以90%的产率得到1-[(2R,4S,5R)-4-azido-5-[[[(4-methoxyphenyl)-diphenylmethyl]amino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
  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-氨基-5-脱氧胸腺嘧啶脱氧核苷 在 吡啶 、 4-二甲氨基吡啶 、 potassium phtalimide 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 (1R,9R,10R)-10-({[(4-Methoxy-phenyl)-diphenyl-methyl]-amino}-methyl)-4-methyl-8,11-dioxa-2,6-diaza-tricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one
  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

文献信息

• Synthesis of DNA analogues with novel carboxamidomethyl phosphonamide and glycinamide internucleoside linkages
  作者：V.A. Efimov、A.A. Buryakova、O.G. Chakhmakhcheva

  DOI：10.1016/s0960-894x(98)00153-x

  日期：1998.5

  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.