| 858863-82-8

• CAS: 858863-82-8
• 化学式: C₄₀H₃₉BN₈O₅SZn
• 分子量: 820.067
• InChiKey: BCGUWISBXRWGAB-UHFFFAOYSA-M

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：

  hydrotris(3,5-methylphenylpyrazolyl)boratozinc(II) hydroxide 、 7-aminocephalosporanic acid 以 二氯甲烷 为溶剂， 以68%的产率得到
  参考文献：
  名称：

  Reactions of Pyrazolylborate−Zinc−Hydroxide Complexes Related to β-Lactamase Activity

  摘要：

  Simple beta-lactams and their hydrolysis products, the P-amino acids, react with Tp(*)Zn-OH under deprotonation. The latter become semibidentate carboxylate ligands with a (NHO)-O-... hydrogen bond, and the former become N-bound beta-lactamide ligands. Likewise the antibiotic derivatives 6-aminopenicillanic acid and 7-aminocephalosporanic acid are incorporated as carboxylate ligands, beta-Lactams bearing nitrophenyl or acyl substituents at the nitrogen atoms are opened hydrolytically by Tp*Zn-OH, and the resulting N-substituted beta-amino acids are attached to zinc by their carboxylate functions. Only with trifluoroacetyl as the N-substituent does the hydrolytic cleavage occur at the external amide bond, yielding the free beta-lactam and Tp(*)Zn-trifluoroacetate. The kinetic investigation of the opening reactions has shown them to be of second order like all other Tp(*)Zn-OH-induced hydrolytic cleavages, thereby supporting the four-center mechanism for the monozinc -lactamases.

  DOI：

  10.1021/ic050220j