4-({(4-tert-Butoxycarbonylamino-butyl)-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-propyl]-carbamoyloxy}-methyl)-benzoic acid | 191277-10-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 4-({(4-tert-Butoxycarbonylamino-butyl)-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-propyl]-carbamoyloxy}-methyl)-benzoic acid
• CAS: 191277-10-8
• 化学式: C₃₆H₄₃N₃O₈
• 分子量: 645.753
• InChiKey: PIPQFRYRLKEASH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.56
• 重原子数：
  47.0
• 可旋转键数：
  14.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  143.5
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  BOC-甘氨酸 、 (S)-2-tert-Butoxycarbonylamino-4-((R)-1-carboxy-2-tritylsulfanyl-ethylcarbamoyl)-butyric acid tert-butyl ester 、 4-({(4-tert-Butoxycarbonylamino-butyl)-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-propyl]-carbamoyloxy}-methyl)-benzoic acid 生成 N¹-Fmoc-N⁸-glutathionylspermidine disulfide
  参考文献：
  名称：

  Solid phase synthesis of polyamine conjugates for the study of trypanothione reductase

  摘要：

  A number of polyamine scaffolds were synthesised, enabling the facile preparation of a variety of polyamine conjugates using both Boc and Fmoc protecting group strategies. Products were released from the solid support by treatment with either triflic acid/trifluoroacetic acid or trifluoroacetic acid. The trypanosomal metabolite N-1, N-8-bis(glutathionyl)spermidine [trypanothione], and a range of related analogues were prepared for biological evaluation as previously communicated. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10156-9
• 作为产物：
  描述：

  N¹-phthalamic acid-N⁴-(4-benzyloxycarbonyl-1-benzoic acid)-N⁸-Boc-spermidine 在 碳酸氢钠 、 一水合肼 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 23.0h， 生成 4-({(4-tert-Butoxycarbonylamino-butyl)-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-propyl]-carbamoyloxy}-methyl)-benzoic acid
  参考文献：
  名称：

  Solid phase synthesis of polyamine conjugates for the study of trypanothione reductase

  摘要：

  A number of polyamine scaffolds were synthesised, enabling the facile preparation of a variety of polyamine conjugates using both Boc and Fmoc protecting group strategies. Products were released from the solid support by treatment with either triflic acid/trifluoroacetic acid or trifluoroacetic acid. The trypanosomal metabolite N-1, N-8-bis(glutathionyl)spermidine [trypanothione], and a range of related analogues were prepared for biological evaluation as previously communicated. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10156-9