5-[3-(4-tert-butyl-benzoyl)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl]-pentanoic acid {6-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-5-hydroxymethyl-hexyl}-amide | 911645-49-3

• 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: 5-[3-(4-tert-butyl-benzoyl)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl]-pentanoic acid {6-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-5-hydroxymethyl-hexyl}-amide
• CAS: 911645-49-3
• 化学式: C₄₉H₆₁N₃O₇S
• 分子量: 836.105
• InChiKey: VMTWDLJMEDYOSF-CRFAQVEXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.48
• 重原子数：
  60.0
• 可旋转键数：
  20.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  126.43
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  5-[3-(4-tert-butyl-benzoyl)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl]-pentanoic acid {6-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-5-hydroxymethyl-hexyl}-amide 、 丁二酸酐 在 TEA 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  OXIDATION OF BIOTIN DURING OLIGONUCLEOTIDE SYNTHESIS

  摘要：

  A new "polystyrene biotin support" has been synthesized for the solid support synthesis of the 3'-biotinylated oligonucleotides. Several oligas were synthesized and were analyzed by the HPLC and Mass Spec. Oligo analysis revealed that the biotin gets oxidized to "biotin sulfoxide " during the synthesis.

  DOI：

  10.1081/ncn-200059277
• 作为产物：
  描述：

  对叔丁基苯甲酰氯 在 吡啶 、 4-二甲氨基吡啶 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 、 叔丁基二苯基氯硅烷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-[3-(4-tert-butyl-benzoyl)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl]-pentanoic acid {6-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-5-hydroxymethyl-hexyl}-amide
  参考文献：
  名称：

  OXIDATION OF BIOTIN DURING OLIGONUCLEOTIDE SYNTHESIS

  摘要：

  A new "polystyrene biotin support" has been synthesized for the solid support synthesis of the 3'-biotinylated oligonucleotides. Several oligas were synthesized and were analyzed by the HPLC and Mass Spec. Oligo analysis revealed that the biotin gets oxidized to "biotin sulfoxide " during the synthesis.

  DOI：

  10.1081/ncn-200059277