tricarbonyl(1-((2,3,4,5-η)-2,4-cyclohexadien-1-yl)pyridinium)iron(1+) hexafluorophosphate | 199531-79-8

• 英文名称: tricarbonyl(1-((2,3,4,5-η)-2,4-cyclohexadien-1-yl)pyridinium)iron(1+) hexafluorophosphate
• 英文别名: tricarbonyl(1-4-η-5-pyridiniocyclohexa-1,3-diene)iron hexafluorophosphate
• CAS: 199531-79-8
• 化学式: C₁₄H₁₂FeNO₃*F₆P
• 分子量: 443.065
• InChiKey: HJGXZYLCYMGCRW-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为反应物：
  描述：

  DL-赖氨酸 、 tricarbonyl(1-((2,3,4,5-η)-2,4-cyclohexadien-1-yl)pyridinium)iron(1+) hexafluorophosphate 以 甲醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  FTIR Detection of an enzyme-bound organometallic carbonyl probe in the presence of the unbound probe molecule

  摘要：

  在有机金属探针的高分辨红外光谱中，源自三羰基（1–4-η-5-吡啶鎓环己-1,3-二烯）铁六氟磷酸盐的νs(CO)和νas(CO)带，在α-糜蛋白酶存在下培养时，观察到了高频肩峰，并归因于通过酶-NH2基团共价结合的铁配合物；光谱的曲线拟合分析使得即使在游离探针过量的情况下也能检测到结合的配合物，并能计算其红外光谱，与来自三羰基铁部分与12种氨基酸和聚赖氨酸类似相互作用产生的光谱数据进行比较。

  DOI：

  10.1039/c39940000039

文献信息

• FTIR studies of organometalcarbonyl-tagged enzymes
  作者：Christopher E. Anson、Colin S. Creaser、Orsolya Egyed、G.Richard Stephenson

  DOI：10.1016/s1386-1425(97)00080-2

  日期：1997.10

  Attachment of organometaltricarbonyl tags to enzymes is revealed by changes in the vibrational modes of the carbonyl groups. Shoulders on nu(sym)(CO) and nu(asym)(CO) bands in the FTIR spectrum of an organometallic tag derived from tricarbonyl[1-(2,3,4,5-eta)-2,4-cyclohexadien-1-yl}pyridinium]iron(1+) hexafluorophosphate(1-)were detected on binding to enzymes (alpha-chymotrypsin, ribonuclease A, alkaline phosphatase and a triacylglycerol lipase). By comparison with tagging reactions between the tricarbonyliron moiety and model compounds, the new spectral features were attributed to an iron complex covalently bonded to the NH2 groups of the amino acid residues of the enzymes. FTIR spectroscopy was used to monitor deprotonation of tagged amino groups on the enzyme surface. Interactions between the organometalcarbonyl tag and other side-chain groups of the amino acid residues were also investigated. (C) 1997 Elsevier Science B.V.