pentafluorophenyl ester of SPSP acridinium sulfomnamide | 1172577-06-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: pentafluorophenyl ester of SPSP acridinium sulfomnamide
• 英文别名: 3-[9-[[4-[4-Oxo-4-(2,3,4,5,6-pentafluorophenoxy)butyl]phenyl]sulfonyl-(3-sulfopropyl)carbamoyl]acridin-10-ium-10-yl]propane-1-sulfonate
• CAS: 1172577-06-8
• 化学式: C₃₆H₃₁F₅N₂O₁₁S₃
• 分子量: 858.839
• InChiKey: JWGZQIDZHQTWOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  57
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  221
• 氢给体数：
  1
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  gentamicin C1a 、 pentafluorophenyl ester of SPSP acridinium sulfomnamide 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 以17%的产率得到
  参考文献：
  名称：

  Methodology for the rapid separation of gentamicin components and regiospecific synthesis of gentamicin conjugates

  摘要：

  An efficient synthesis of a single conjugate of gentamicin is described. Reaction of the primarily three component gentamicin complex with excess benzyl chloroformate provided a mixture of the amine-protected components which were separable at scale by preparative HPLC using UV detection. Mild deprotection provided the pure separated components. Conjugation of one deprotected component permitted preparation of a single, manufacturable gentamicin conjugate. These strategies provide a general method for the separation of gentamicin components as well as a useful solution for the regiospecific synthesis of gentamicin conjugates. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.113

文献信息

• Methodology for the manufacturable synthesis of valproic acid conjugates
  作者：Jonathan Grote、Yon-Yih Chen

  DOI：10.1016/j.tetlet.2013.11.109

  日期：2014.1

  An efficient synthesis of a chemiluminescent valproic acid conjugate is described. Reaction of diethyl propylmalonate with 4-bromobutylphthalimide produced an amino protected malonate, which was deprotected with hydrazine and treated with HCl to produce an aminoderivatized valproic acid. Reaction with an acridinium active ester produced the conjugate in good yield. Careful selection of commercially available materials and mild conditions made this pathway amenable to scale up. This strategy offers a general method for the preparation of valproic acid conjugates. (C) 2013 Elsevier Ltd. All rights reserved.
• COMPOSITIONS FOR ENHANCING CHEMILUMINESCENCE AND METHODS OF USING THE SAME
  申请人：Abbott Laboratories

  公开号：US20150330986A1

  公开（公告）日：2015-11-19

  Disclosed herein is a composition for enhancing chemiluminescence and a method of using the composition to improve analyte detection.