Ro 23-9424 | 115622-58-7

• 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: Ro 23-9424
• 英文别名: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbonyl]oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• CAS: 115622-58-7
• 化学式: C₃₁H₃₁F₃N₈O₈S₂
• 分子量: 764.763
• InChiKey: IKYGJSBKPPIKJK-JDKVAZDPSA-N

物化性质

• 密度：
  1.71±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  52
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  254
• 氢给体数：
  3
• 氢受体数：
  19

文献信息

• A process for synthesizing cephalosporin compounds
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0453952A2

  公开（公告）日：1991-10-30

  A process for synthesizing cephalosporin compounds of the general formula    wherein R¹ is a quinolonyl or an azaquinolonyl group; R² is selected from the group consisting of hydrogen, lower alkoxy, amino, lower alkylthio and lower alkanoylamino; and R³ is selected from the group consisting of hydrogen and an acyl group, including the pharmaceutically acceptable salts, readily hydrolyzable esters thereof and hydrates of said compounds; said process comprising reacting a cephalosporin compound of the formula    wherein R² is selected from the group consisting of hydrogen, lower alkoxy, amino, lower alkylthio and lower alkanoylamino; R³ is selected from the group consisting of hydrogen and an acyl group; and Rb is an organic base which forms a salt with the 2-COOH substituent which salt is soluble in non-aqueous organic solvents, with an activated quinolone compound of formula    wherein R¹ is quinolonyl or an azaquinolonyl group; and Rf is alkyl, alkenyl, aryl which may be substituted or unsubstituted, cycloalkyl which may be substituted or unsubstituted, cycloalkenyl which may be substituted or unsubstituted or aralkyl, the reaction being carried out in a non-aqueous organic solvent in the presence of a reaction promoter, whereafter, (a) for the manufacture of a readily hydrolyzable ester of a compound of formula I a carboxylic acid of formula I is subjected to a corresponding esterification, or (b) for the manufacture of salts or hydrates of a compound of formula I or hydrates of said salts a compound of formula I is converted into a salt or hydrate or into a hydrate of said salt. The end products are antibacterially active.

  一种合成通式头孢菌素化合物的工艺 其中 R¹ 是喹啉基或偶氮喹啉基；R² 选自氢、低级烷氧基、氨基、低级烷硫基和低级烷酰氨基组成的组；以及 R³ 选自氢和酰基组成的组、 包括药学上可接受的盐、其易水解酯和所述化合物的水合物；所述工艺包括使式如下的头孢菌素化合物反应 其中 R² 选自氢、低级烷氧基、氨基、低级烷硫基和低级烷酰氨基组成的组；R³ 选自氢和酰基组成的组；Rb 是有机碱，它与 2-COOH 取代基形成盐，该盐可溶于非水有机溶剂、 式中的活化喹诺酮化合物 其中 R¹ 是喹啉基或偶氮喹啉基；Rf 是烷基、烯基、可取代或未取代的芳基、可取代或未取代的环烷基、可取代或未取代的环烯基或芳烷基、 该反应在非水有机溶剂中，在反应促进剂存在下进行，然后、 (a) 为制造式 I 化合物的易水解酯，将式 I 羧酸进行相应的酯化反应，或 (b) 为制造式 I 化合物的盐或水合物或所述盐的水合物，将式 I 化合物转化为盐或水合物或所述盐的水合物。 最终产品具有抗菌活性。
• US5147871A
  申请人：——

  公开号：US5147871A

  公开（公告）日：1992-09-15