tert-butyl (2S)-2-amino-5-[2-[(4-methoxyphenyl)-diphenylmethyl]sulfanylethylamino]-5-oxopentanoate | 501000-01-7

• 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: tert-butyl (2S)-2-amino-5-[2-[(4-methoxyphenyl)-diphenylmethyl]sulfanylethylamino]-5-oxopentanoate
• CAS: 501000-01-7
• 化学式: C₃₁H₃₈N₂O₄S
• 分子量: 534.72
• InChiKey: HZEYALZPZQKFFR-MHZLTWQESA-N

物化性质

• 沸点：
  683.7±55.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  38
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl (2S)-2-amino-5-[2-[(4-methoxyphenyl)-diphenylmethyl]sulfanylethylamino]-5-oxopentanoate 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 水 、 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 生成 tert-butyl (2S)-2-[(4-aminobenzoyl)amino]-5-[2-[(4-methoxyphenyl)-diphenylmethyl]sulfanylethylamino]-5-oxopentanoate
  参考文献：
  名称：

  An efficient synthesis of the ribozyme–folate conjugate

  摘要：

  gamma-Cysteamine modified folic acid was synthesized by reductive alkylation of N-2-Bu-i-6-formylpterin with suitably protected cysteaminyl-L-glutamyl-p-aminobenzoic acid, followed by deprotection. Following activation with 2,2'-dipyridyl disulfide, this synthon was conjugated to the 5'-end of 5'-thiol modified ribozyme to afford target ribozyme-folate conjugate in a good yield. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00837-7
• 作为产物：
  描述：

  S-(4-methoxytrityl)-2-aminoethanethiol 在 哌啶 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 tert-butyl (2S)-2-amino-5-[2-[(4-methoxyphenyl)-diphenylmethyl]sulfanylethylamino]-5-oxopentanoate
  参考文献：
  名称：

  An efficient synthesis of the ribozyme–folate conjugate

  摘要：

  gamma-Cysteamine modified folic acid was synthesized by reductive alkylation of N-2-Bu-i-6-formylpterin with suitably protected cysteaminyl-L-glutamyl-p-aminobenzoic acid, followed by deprotection. Following activation with 2,2'-dipyridyl disulfide, this synthon was conjugated to the 5'-end of 5'-thiol modified ribozyme to afford target ribozyme-folate conjugate in a good yield. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00837-7

文献信息

• An efficient synthesis of the ribozyme–folate conjugate
  作者：Jasenka Matulic-Adamic、Mark Sanseverino、Leonid Beigelman

  DOI：10.1016/s0040-4039(02)00837-7

  日期：2002.6

  gamma-Cysteamine modified folic acid was synthesized by reductive alkylation of N-2-Bu-i-6-formylpterin with suitably protected cysteaminyl-L-glutamyl-p-aminobenzoic acid, followed by deprotection. Following activation with 2,2'-dipyridyl disulfide, this synthon was conjugated to the 5'-end of 5'-thiol modified ribozyme to afford target ribozyme-folate conjugate in a good yield. (C) 2002 Elsevier Science Ltd. All rights reserved.