Methyl 5-oxo-3-(phenylcarbamoyl)-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-8-carboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl 5-oxo-3-(phenylcarbamoyl)-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline-8-carboxylate
• 英文别名: methyl 5-oxo-3-(phenylcarbamoyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
• 化学式: C₁₉H₁₃N₃O₄S₂
• 分子量: 411.5
• InChiKey: WKFXKJMYGNYRPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  145
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Methods and compositions related to STK1-targeted small molecules as antibiotic resistance breakers
  申请人：Ohio State Innovation Foundation

  公开号：US11318141B2

  公开（公告）日：2022-05-03

  Disclosed are methods and compositions related to STK1 inhibitors, such as Inh2-B1 (methyl 5-oxo-3-(phenyl carbamoyl)-1-thioxo-4,5dihydro[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate). The STK1 inhibitors can act as an antibiotic resistance breakers against multidrug-resistant Staphylococcus aureus.

  公开了与 STK1 抑制剂有关的方法和组合物，如 Inh2-B1（5-氧代-3-（苯基氨基甲酰基）-1-硫酮-4,5-二氢[1,3]噻唑并[3,4-a]喹唑啉-8-羧酸甲酯）。STK1 抑制剂可作为抗生素耐药性的克星，抵御耐多药金黄色葡萄球菌。
• METHODS AND COMPOSITIONS RELATED TO STK1-TARGETED SMALL MOLECULES AS ANTIBIOTIC RESISTANCE BREAKERS
  申请人：Ohio State Innovation Foundation

  公开号：US20200222416A1

  公开（公告）日：2020-07-16

  Disclosed are methods and compositions related to STK1 inhibitors, such as Inh2-B1 (methyl 5-oxo-3-(phenyl carbamoyl)-1-thioxo-4,5dihydro[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate). The STK inhibitors can act as an antibiotic resistance breakers against multidrug-resistant Staphylococcus aureus.
• [EN] METHODS AND COMPOSITIONS RELATED TO STK1-TARGETED SMALL MOLECULES AS ANTIBIOTIC RESISTANCE BREAKERS<br/>[FR] PROCÉDÉS ET COMPOSITIONS LIÉS À DES PETITES MOLÉCULES CIBLÉES STK1 UTILISÉES EN TANT QU'AGENTS DE RUPTURE DE RÉSISTANCE AUX ANTIBIOTIQUES
  申请人：OHIO STATE INNOVATION FOUNDATION

  公开号：WO2019006459A1

  公开（公告）日：2019-01-03

  Disclosed are methods and compositions related to STK1 inhibitors, such as Inh2-B1 (methyl 5-oxo-3-(phenyl carbamoyl)-1-thioxo-4,5dihydro[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate). The STK1 inhibitors can act as an antibiotic resistance breakers against multidrug-resistant Staphylococcus aureus.