ethyl 8-(5-bromomethyl-4-fluorothiophen-2-yl)-1-cyclopropyl-9-methyl-4-oxo-4H-quinolizine-3-carboxylate | 508225-50-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹嗪类
• 英文名称: ethyl 8-(5-bromomethyl-4-fluorothiophen-2-yl)-1-cyclopropyl-9-methyl-4-oxo-4H-quinolizine-3-carboxylate
• 英文别名: Ethyl 8-[5-(bromomethyl)-4-fluorothiophen-2-yl]-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate
• CAS: 508225-50-1
• 化学式: C₂₁H₁₉BrFNO₃S
• 分子量: 464.355
• InChiKey: OMRVMNZWHLOKFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• 4-Oxoquinolizine antibacterial agent having 2-pyridone skeleton as partial structure
  申请人：SATO PHARMACEUTICAL CO., LTD.

  公开号：US20040229903A1

  公开（公告）日：2004-11-18

  The present invention provides a 4-oxoquinolizine antibacterial agent having a 2-pyridone skeleton as a partial structure and also having a strong antibacterial effect on gram-positive bacteria, gram-negative bacteria or anaerobic bacteria. The compound having the following formula (I) or a pharmaceutically acceptable salt thereof: 1 wherein: R 1 represents hydrogen atom or a carboxyl-protecting group, R 2 represents hydrogen atom, a halogen atom, a lower alkyl group, a lower alkoxyl group or hydroxyl group, R 3 represents phenyl group or an aromatic substituent selected from the group consisting of 5-membered and 6-membered heterocyclic groups and R 3 has a substituent selected from the group consisting of a hydrogen atom, a lower alkyl group, a lower alkoxyl group, a nitro group, a cyano group, an amino group, an acyl group, a carbamoyl group and a ureido group, and R 4 represents a hydrogen atom or a halogen atom.

  本发明提供了一种具有2-吡啶酮骨架作为部分结构并对革兰氏阳性菌、革兰氏阴性菌或厌氧菌具有强烈抗菌作用的4-氧喹啉类抗菌剂。该化合物具有以下式（I）或其药学上可接受的盐：1其中：R1代表氢原子或羧基保护基，R2代表氢原子、卤素原子、较低的烷基、较低的烷氧基或羟基，R3代表苯基或从5-成员和6-成员杂环基组成的芳香基取代基，且R3具有从氢原子、较低的烷基、较低的烷氧基、硝基、氰基、氨基、酰基、氨基甲酰基和尿素基组成的取代基，以及R4代表氢原子或卤素原子。
• 4-OXOQUINOLIZINE ANTIMICROBIALS HAVING 2-PYRIDONE SKELETON AS PARTIAL STRUCTURE
  申请人：Sato Pharmaceutical Co. Ltd.

  公开号：EP1437354B1

  公开（公告）日：2008-08-13
• US7223773B2
  申请人：——

  公开号：US7223773B2

  公开（公告）日：2007-05-29