(S)-2-(4-{[(4-Methoxy-phenyl)-diphenyl-methyl]-amino}-benzoylamino)-4-{2-[(4-methoxy-phenyl)-diphenyl-methylsulfanyl]-ethylcarbamoyl}-butyric acid tert-butyl ester | 501000-02-8

• 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: (S)-2-(4-{[(4-Methoxy-phenyl)-diphenyl-methyl]-amino}-benzoylamino)-4-{2-[(4-methoxy-phenyl)-diphenyl-methylsulfanyl]-ethylcarbamoyl}-butyric acid tert-butyl ester
• CAS: 501000-02-8
• 化学式: C₅₈H₅₉N₃O₆S
• 分子量: 926.189
• InChiKey: RBAIRCMMXKRGGF-MPLRIKRWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.17
• 重原子数：
  68.0
• 可旋转键数：
  20.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  114.99
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (S)-2-(4-{[(4-Methoxy-phenyl)-diphenyl-methyl]-amino}-benzoylamino)-4-{2-[(4-methoxy-phenyl)-diphenyl-methylsulfanyl]-ethylcarbamoyl}-butyric acid tert-butyl ester 以 水 、 溶剂黄146 为溶剂， 以100%的产率得到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 (S)-2-(4-{[(4-Methoxy-phenyl)-diphenyl-methyl]-amino}-benzoylamino)-4-{2-[(4-methoxy-phenyl)-diphenyl-methylsulfanyl]-ethylcarbamoyl}-butyric acid tert-butyl ester
  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