3--N-<3-<(tert-butoxy)carbonylamino>propyl>amino>propansaure | 155177-45-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3--N-<3-<(tert-butoxy)carbonylamino>propyl>amino>propansaure
• 英文别名: 4,8-diaza-4,8-di-(tert-butoxycarbonyl) octanoic acid；3-[(2-Methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoic acid
• CAS: 155177-45-0
• 化学式: C₁₆H₃₀N₂O₆
• 分子量: 346.424
• InChiKey: RUNUEFUNEQZCTE-UHFFFAOYSA-N

物化性质

• 沸点：
  488.1±38.0 °C(Predicted)
• 密度：
  1.116±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  24
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3--N-<3-<(tert-butoxy)carbonylamino>propyl>amino>propansaure 在 盐酸 、 N,N'-羰基二咪唑 作用下， 以 1,4-二氧六环 为溶剂， 反应 19.0h， 生成 N²-<3-<(3-aminopropyl)amino>propanoyl>-N¹-isopropylalaninamid-dihydrochlorid
  参考文献：
  名称：

  类脂胺多杀菌素

  摘要：

  蜘蛛毒素多胺类似物的合成

  DOI：

  10.1002/hlca.19940770408
• 作为产物：
  描述：

  3--N-<3-<(tert-butoxy)carbonylamino>propyl>amino>propansaure-ethylester 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 以94%的产率得到3--N-<3-<(tert-butoxy)carbonylamino>propyl>amino>propansaure
  参考文献：
  名称：

  类脂胺多杀菌素

  摘要：

  蜘蛛毒素多胺类似物的合成

  DOI：

  10.1002/hlca.19940770408

文献信息

• Synthesis of purine-acridine hybrid molecules related to artificial endonucleases
  作者：Abdellatif Fkyerat、Martine Demeunynck、Jean-François Constant、Jean Lhomme

  DOI：10.1016/s0040-4020(01)81810-x

  日期：1993.1

  In the course of a program devoted to the synthesis of artificial endonucleases, we have previously reported a series of hybrid molecules in which a purine is linked to an intercalating drug by a polyamino chain. These molecules recognize and cleave selectively abasic sites in DNA with very high efficiency. In order to get insight into the mechanism of recognition and cleavage, we have prepared a new series of molecules in which the purine is linked to an amino-acridine by an aliphatic chain containing amido or/and amino groups. The key intermediates are alpha-halo-omega-amino polyaza chains which may be of general use as linkers in bioconjugate chemistry.
• Synthesis and study of a new adenine–acridine tandem, inhibitor of exonuclease III
  作者：Philippe Belmont、Martine Demeunynck、Jean-François Constant、Jean Lhomme

  DOI：10.1016/s0960-894x(99)00681-2

  日期：2000.2

  A new heterodimer adenine-chain-acridine containing a mixed amido-guanidinium linker chain was synthesized. To achieve the synthesis a new method of introduction of aminoalkyl chain at position 9 of adenine was designed. The heterodimer interacts specifically with the abasic sites in DNA and inhibits the major base excision repair enzyme in Escherichia coli, Exonuclease III. (C) 2000 Elsevier Science Ltd. All rights reserved.