protoporphyrin IX iron(II)(n-propylamine)2 | 136274-94-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: protoporphyrin IX iron(II)(n-propylamine)2
• CAS: 136274-94-7
• 化学式: C₄₀H₅₀FeN₆O₄
• 分子量: 734.722
• InChiKey: PMFXRNBMFBMBIU-UHEVNVKKSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  正丙胺 、 heme b 以 水 为溶剂， 生成 protoporphyrin IX iron(II)(n-propylamine)2
  参考文献：
  名称：

  Studies on the binding of nitrogenous bases to protoporphyrin IX iron(II) in aqueous solution at high pH values part II. Aliphatic nitrogen ligands

  摘要：

  The first complimentary studies using Mossbauer spectroscopy and ligand titrations on protoporphyrin IX iron(II) with a series of aliphatic nitrogenous ligands are reported. Binding constants have been determined by titration of the metal complex with these ligands. The adduct formation was monitored through optical spectroscopy. Parallel Mossbauer spectroscopic experiments were conducted to monitor the electronic environment around the central iron atom in these adducts. Both spectroscopic methods indicated that all the aliphatic nitrogen bases yielded low spin octahedral complexes. The magnitude of the overall binding constants (log beta-2 value which varied from 1.7 for ethanolamine to 4.26 for n-octylamine) are discussed and related to (i) the pK(a) values of the free ligands and (ii) to the quadrupole splitting, DELTA-E(Q), of the haem iron. The aliphatic nitrogenous ligands studied here exhibited cooperative binding (except ethanolamine) with Hill coefficients close to 2 for protoporphyrin IX iron(II), but with significantly lower (approximately 1000-fold) affinity than pyridine and imidazole ligands (which we have studied previously). However, these aliphatic and aromatic ligands displayed comparable DELTA-E(Q) values (approximately 1.00 to 1.20 mm s-1). The beta-2 and DELTA-E(Q) values are also discussed in terms of the structure of the ligand.

  DOI：

  10.1016/s0020-1693(00)82993-x