2-{4-[(2,3-Dihydro-1,4-benzodioxin-6-ylamino)carbothioyl]piperazino}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-D]pyrimidine-6-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-{4-[(2,3-Dihydro-1,4-benzodioxin-6-ylamino)carbothioyl]piperazino}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-D]pyrimidine-6-carboxylic acid
• 英文别名: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
• 化学式: C₂₃H₂₄N₆O₅S
• 分子量: 496.5
• InChiKey: YPXLTFWATXDRGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  152
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF
  申请人：Fred Hutchinson Cancer Research Center

  公开号：US20150126519A1

  公开（公告）日：2015-05-07

  Disclosed herein are compounds and methods for inhibiting bacterial DNA repair enzymes, including AddAB and RecBCD helicase-nucleases. Pharmaceutical compositions and methods for treating a subject with an antibacterial agent are also disclosed herein.
• [EN] ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF<br/>[FR] COMPOSÉS ET COMPOSITIONS ANTIBIOTIQUES, ET PROCÉDÉS D'IDENTIFICATION ASSOCIÉS
  申请人：HUTCHINSON FRED CANCER RES

  公开号：WO2013142628A2

  公开（公告）日：2013-09-26

  Disclosed herein are compounds and methods for inhibiting bacterial DNA repair enzymes, including AddAB and RecBCD helicase-nucleases. Pharmaceutical compositions and methods for treating a subject with an antibacterial agent are also disclosed herein.