1,6-dihydro-6-oxo-5-phenyl-N-propylpyrazinecarboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1,6-dihydro-6-oxo-5-phenyl-N-propylpyrazinecarboxamide
• 英文别名: 6-oxo-5-phenyl-N-propyl-1H-pyrazine-2-carboxamide
• 化学式: C₁₄H₁₅N₃O₂
• 分子量: 257.292
• InChiKey: RWBYIFSRJASJOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  70.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  正丙胺 、 头孢克洛 在 phosphate buffer 作用下， 以 水 为溶剂， 反应 336000.0h， 以27%的产率得到1,6-dihydro-6-oxo-5-phenyl-N-propylpyrazinecarboxamide
  参考文献：
  名称：

  Pyrazinone conjugates as potential cephalosporin allergens

  摘要：

  Cephalosporins with an alpha -amino group on the 7-beta -acyl substituent have been shown to undergo aminolysis with subsequent formation of a fluorescent pyrazinone degradation product. An analogous reaction seems to take place upon in vitro conjugation of such cephalosporins to albumins and polylysine. A corresponding pyrazinone-polylysine conjugate was able to bind IgE antibodies in sera from patients with suspected allergy to p-lactams. These findings may have applications in the diagnosis of allergy against aminocephalosporins. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00348-1

文献信息

• [EN] NEW PIRAZOLONE COMPOUNDS FOR THE DIAGNOSIS OF ALLERGIES TO BETA-LACTAM ANTIBIOTICS<br/>[ES] NUEVOS COMPUESTOS DE TIPO PIRAZOLONA PARA EL DIAGNÓSTICO DE ALERGIAS A ANTIBIÓTICOS BETALACTÁMICOS<br/>[FR] NOUVEAUX COMPOSÉS DE TYPE PYRAZOLONE POUR LE DIAGNOSTIC D'ALLERGIES À DES ANTIBIOTIQUES BÊTALACTAMIQUES
  申请人：SERVICIO ANDALUZ DE SALUD

  公开号：WO2019077190A1

  公开（公告）日：2019-04-25

  Nuevos compuestos de tipo pirazolona, su uso para el diagnóstico de alergias a antibióticos betalactámicos, preferiblemente aminocefalosporinas y/o aminopenicilinas, y procedimiento de preparación.
• Pyrazinone conjugates as potential cephalosporin allergens
  作者：Lennart Venemalm

  DOI：10.1016/s0960-894x(01)00348-1

  日期：2001.7

  Cephalosporins with an alpha -amino group on the 7-beta -acyl substituent have been shown to undergo aminolysis with subsequent formation of a fluorescent pyrazinone degradation product. An analogous reaction seems to take place upon in vitro conjugation of such cephalosporins to albumins and polylysine. A corresponding pyrazinone-polylysine conjugate was able to bind IgE antibodies in sera from patients with suspected allergy to p-lactams. These findings may have applications in the diagnosis of allergy against aminocephalosporins. (C) 2001 Elsevier Science Ltd. All rights reserved.