(6R-trans)-7-[[(2-Amino-4-thiazolyl)(oxo)acetyl]-amino]-3-[[4-(3-carboxy-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl)-1-piperazinyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid trifluoroacetic acid salt | 143983-14-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: (6R-trans)-7-[[(2-Amino-4-thiazolyl)(oxo)acetyl]-amino]-3-[[4-(3-carboxy-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl)-1-piperazinyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid trifluoroacetic acid salt
• 英文别名: (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetyl]amino]-3-[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;2,2,2-trifluoroacetic acid
• CAS: 143983-14-6
• 化学式: C₂HF₃O₂*C₃₀H₂₈FN₇O₈S₂
• 分子量: 811.749
• InChiKey: BZDJWFOITRCRKB-SIISZDPCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.59
• 重原子数：
  55
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  298
• 氢给体数：
  5
• 氢受体数：
  21

文献信息

• Cephalosporin derivatives
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0550775A1

  公开（公告）日：1993-07-14

  Cephalosporin derivatives of the general formula    in which R³ is a group of the formula    R⁶⁰ and R⁶⁵ are hydrogen or lower alkyl, R¹⁵-R¹⁹ are each independently hydrogen, halogen or hydroxy, n is zero or 1, R⁴ and R⁵ are each hydrogen, halogen, lower alkyl, lower alkoxy or amino, R⁷ is hydrogen or lower alkyl and R⁸ is lower alkyl, halo- lower alkyl, C₃-C₇ cycloalkyl or mono-, di- or trihalophenyl, and Z is N or C-R⁹, where R⁹ is hydrogen, halogen, lower alkyl or lower alkoxy; and, when R⁴ is fluoro, R⁵ and R⁷ are hydrogen. R⁸ is cyclopropyl and Z is C-H, R³ can also be one of the groups    in which R⁶¹ and R⁶⁶ are hydrogen or methyl, R¹⁵-R¹⁹ are as above and R⁹⁰ is hydrogen, hydroxy, carboxy, amino or [[4-(lower alkyl)-2,3-dioxo-1-piperazinyl]carbonyl]amino; pharmaceutically acceptable acid or base addition salts thereof, hydrates of compounds of formula I and hydrates of such salts. The products have antibacterial activity.

  头孢菌素衍生物的一般公式如下，其中R³是一个具有公式R⁶⁰的基团，R⁶⁵是氢或较低烷基，R¹⁵-R¹⁹分别独立地是氢、卤素或羟基，n为零或1，R⁴和R⁵分别是氢、卤素、较低烷基、较低烷氧基或氨基，R⁷是氢或较低烷基，R⁸是较低烷基、卤代较低烷基、C₃-C₇环烷基或单、二或三卤苯基，Z是N或C-R⁹，其中R⁹是氢、卤素、较低烷基或较低烷氧基；当R⁴为氟时，R⁵和R⁷为氢。R⁸为环丙基，Z为C-H时，R³也可以是以下基团之一，其中R⁶¹和R⁶⁶为氢或甲基，R¹⁵-R¹⁹如上所述，R⁹⁰为氢、羟基、羧基、氨基或[[4-(较低烷基)-2,3-二氧代-1-哌嗪基]羰基]氨基；其药用上可接受的酸或碱盐，以及公式I化合物的水合物和此类盐的水合物。这些产品具有抗菌活性。