3'-isothiocyanato-5'-O-(4-methoxyphenyl)-diphenylmethyl-3'-deoxythymidine | 385388-88-5

• 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: 3'-isothiocyanato-5'-O-(4-methoxyphenyl)-diphenylmethyl-3'-deoxythymidine
• 英文别名: 1-[(2R,4S,5S)-4-isothiocyanato-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• CAS: 385388-88-5
• 化学式: C₃₁H₂₉N₃O₅S
• 分子量: 555.654
• InChiKey: WDXMIJLYQMOOOR-UPRLRBBYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3'-isothiocyanato-5'-O-(4-methoxyphenyl)-diphenylmethyl-3'-deoxythymidine 在 吡啶 、 4-二甲氨基吡啶 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 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 6.0h， 生成 3'-isothiocyanato-5'-O-(4-methoxyphenyl)-diphenylmethyl-3'-deoxythymidine
  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

• Incorporation of positively charged deoxynucleic S-Methylthiourea linkages into oligodeoxyribonucleotides
  作者：Hemavathi Challa、Thomas C Bruice

  DOI：10.1016/s0960-894x(01)00455-3

  日期：2001.9

  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.