4-[(4-Hydroxy-3-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-[(4-Hydroxy-3-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
• 化学式: C15H15N5O5
• 分子量: 345.31
• InChiKey: PQYVEONYEDDWCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  148
• 氢给体数：
  5
• 氢受体数：
  7

文献信息

• Rational drug design targeting resistant gram-negative bacterial infections to polymyxin-class antibiotics
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US10925857B2

  公开（公告）日：2021-02-23

  The present invention relates to identification of inhibitors or antagonists of aminoarabinase glycosyltransferase (ArnT) and their use in compositions, methods of treatment or prevention of drug resistant gram negative infections, or inhibiting the growth of gram negative bacterial infections resistant to polymyxin-class antibiotics. In certain aspects, the inhibitors or antagonists can be administered in combination with one or more antibacterial agents.

  本发明涉及氨基阿拉滨酶糖基转移酶（ArnT）抑制剂或拮抗剂的鉴定及其在治疗或预防耐药革兰氏阴性菌感染或抑制对多粘菌素类抗生素耐药的革兰氏阴性菌感染的组合物、方法中的用途。在某些方面，抑制剂或拮抗剂可与一种或多种抗菌剂联合使用。
• RATIONAL DRUG DESIGN TARGETING RESISTANT GRAM-NEGATIVE BACTERIAL INFECTIONS TO POLYMYXIN-CLASS ANTIBIOTICS
  申请人：The Trustees of Columbia University in the City of New York

  公开号：EP3374027B1

  公开（公告）日：2021-06-23
• [EN] RATIONAL DRUG DESIGN TARGETING RESISTANT GRAM-NEGATIVE BACTERIAL INFECTIONS TO POLYMYXIN-CLASS ANTIBIOTICS<br/>[FR] CONCEPTION RATIONNELLE DE MÉDICAMENTS CIBLANT DES INFECTIONS BACTÉRIENNES À GRAM NÉGATIF RÉSISTANT AUX ANTIBIOTIQUES DE LA FAMILLE DES POLYMYXINES
  申请人：UNIV COLUMBIA

  公开号：WO2017083859A1

  公开（公告）日：2017-05-18

  The present invention relates to identification of inhibitors or antagonists of aminoarabinase glycosyltransferase (ArnT) and their use in compositions, methods of treatment or prevention of drug resistant gram negative infections, or inhibiting the growth of gram negative bacterial infections resistant to polymyxin-class antibiotics. In certain aspects, the inhibitors or antagonists can be administered in combination with one or more antibacterial agents.