Methyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamoyl]oxymethyl]benzoate | 177897-09-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamoyl]oxymethyl]benzoate
• CAS: 177897-09-5
• 化学式: C₂₇H₄₃N₃O₈
• 分子量: 537.654
• InChiKey: CMLITAVAQZIFEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  38
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  133
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Methyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamoyl]oxymethyl]benzoate 在 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 以82%的产率得到4-{[(4-tert-Butoxycarbonylamino-butyl)-(3-tert-butoxycarbonylamino-propyl)-carbamoyloxy]-methyl}-benzoic acid
  参考文献：
  名称：

  Solid phase polyamine linkers-their utility in synthesis and the preparation of directed libraries against trypanothione reductase

  摘要：

  各种二保护多胺被锚定在固体支持物上，并用于固相化学和生成库。

  DOI：

  10.1039/cc9960000941
• 作为产物：
  描述：

  亚精胺 在 sodium hydroxide 、 三乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.5h， 生成 Methyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamoyl]oxymethyl]benzoate
  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

文献信息

• Solid phase synthesis of polyamine conjugates for the study of trypanothione reductase
  作者：Ian R. Marsh、Mark Bradley

  DOI：10.1016/s0040-4020(97)10156-9

  日期：1997.12

  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.
• Solid phase polyamine linkers-their utility in synthesis and the preparation of directed libraries against trypanothione reductase
  作者：Ian R. Marsh、Helen Smith、Mark Bradley

  DOI：10.1039/cc9960000941

  日期：——

  A variety of diprotected polymines are anchored to a solid support and used in solid phase chemistry and library generation.

  各种二保护多胺被锚定在固体支持物上，并用于固相化学和生成库。