(6R,7R)-3-[(E)-[1-[[1-[2-(4-hydroxyanilino)-2-oxoethyl]pyridin-1-ium-4-yl]methyl]-2-oxopyrrolidin-3-ylidene]methyl]-8-oxo-7-[[2-(2,4,5-trichlorophenyl)sulfanylacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

• 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,7R)-3-[(E)-[1-[[1-[2-(4-hydroxyanilino)-2-oxoethyl]pyridin-1-ium-4-yl]methyl]-2-oxopyrrolidin-3-ylidene]methyl]-8-oxo-7-[[2-(2,4,5-trichlorophenyl)sulfanylacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• 化学式: C34H28Cl3N5O7S2
• 分子量: 789.1
• InChiKey: XNDDQMIUQYUPBH-NFJKZXBSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  51
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  214
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

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

  公开号：EP0841339A1

  公开（公告）日：1998-05-13

  The present invention relates to cephalosporin derivatives of the general formula where R1is halogen, lower alkyl, phenyl, benzyl, styryl, naphthyl or heterocyclyl; the lower alkyl, phenyl, benzyl, styryl, naphthyl and heterocyclyl being optionally substituted by at least one of halogen, hydroxy, optionally substituted lower alkyl, optionally substituted lower alkoxy, optionally substituted phenyl, amino, lower alkylamino, di-lower alkylamino, carboxy, lower alkylcarboxy, carbamoyl or lower alkylcarbamoyl; R4, R5independently are hydrogen, lower alkyl or phenyl; Xis S, O, NH or CH2; nis 0,1 or 2; mis 0 or 1; sis 0 or 1; R2is hydrogen, hydroxy, -CH2-CONHR6, lower alkyl-Qr, cycloalkyl-Qr, lower alkoxy, lower alkenyl, cycloalkenyl-Qr, lower alkynyl, aralkyl-Qr, aryl-Qr, aryloxy, aralkoxy, a heterocyclic ring or a heterocyclyl-Qr, the lower alkyl, cycloalkyl, lower alkoxy, lower alkenyl, cycloalkenyl, lower alkynyl, aralkyl, aryl, aryloxy, aralkoxy and the heterocyclic ring may be substituted with at least one group selected from carboxy, amino, nitro, cyano, -SO2NHR6, optionally fluoro substituted lower alkyl, lower alkoxy, hydroxy, halogen, -CONR6R7, -CH2CONR6R7, -N(R7)COOR8, R7CO-, R7OCO-, R7COO-, -C(R7R9)CO2R8, -C(R7R9)CONR7R10, wherein R6 is hydrogen, lower alkyl, cycloalkyl or aryl; R7 and R9 are independently hydrogen or lower alkyl; R8 is hydrogen, lower alkyl, lower alkenyl or a carboxylic acid protecting group; and R10 is hydrogen, ω-hydroxy-alkyl, phenyl, naphthyl or heterocyclyl, the phenyl, naphthyl or heterocyclyl being unsubstituted or substituted with at least one of the groups of optionally protected hydroxy, halogen, optionally substituted lower alkyl or ω-hydroxyalkyl, optionally substituted lower alkoxy and/or cyano, or R7 and R10 form together group of formula Qis -CHR-, -CO- or -SO2-; ris 0 or 1; Ris hydrogen or lower alkyl; and R3is hydroxy, -O-, lower-alkoxy, or -OM and M represents an alkali metal; as well as readily hydrolyzable esters thereof, pharmaceutically acceptable salts of said compounds and hydrates of the compounds of formula I and of their esters and salts, as wen as the preparation of such compounds, their use for the treatment of infectious diseases and pharmaceutical preparations containing such compounds.

  本发明涉及通式如下的头孢菌素衍生物 式中 R1为卤素、低级烷基、苯基、苄基、苯乙烯基、萘基或杂环基；低级烷基、苯基、苄基、苯乙烯基、萘基和杂环基可任选被卤素、羟基、任选取代的低级烷基、任选取代的低级烷氧基、任选取代的苯基、氨基、低级烷基氨基、二低级烷基氨基、羧基、低级烷基羧基、氨基甲酰基或低级烷基氨基甲酰基中的至少一种取代； R4、R5 分别为氢、低级烷基或苯基； X是S、O、NH或CH2； n为 0、1 或 2； 误差为 0 或 1； sis 0 或 1； R2是氢、羟基、-CH2-CONHR6、低级烷基-Qr、环烷基-Qr、低级烷氧基、低级烯基、环烯基-Qr、低级炔基、烷基-Qr、芳基-Qr、芳氧基、烷氧基、杂环或杂环基-Qr，低级烷基、环烷基、低级烷氧基、低级烯基、环烯基、低级炔基、烷基、芳基、芳氧基、芳烷氧基和杂环可被至少一个选自羧基、氨基、硝基、氰基、-SO2NHR6、任选被氟取代的低级烷基、低级烷氧基、羟基、卤素、-CONR6R7、-CH2CONR6R7、-N(R7)COOR8、R7CO-、R7OCO-、R7COO-、-C(R7R9)CO2R8、-C(R7R9)CONR7R10 的基团取代，其中 R6 是氢、低级烷基、环烷基或芳基； R7 和 R9 独立地为氢或低级烷基 R8 是氢、低级烷基、低级烯基或羧酸保护基；以及 R10 是氢、ω-羟基烷基、苯基、萘基或杂环基，其中苯基、萘基或杂环基是未取代的或被至少一个基团取代的，这些基团是受保护的羟基、卤素、任选取代的低级烷基或ω-羟基烷基、任选取代的低级烷氧基和/或氰基，或 R7 和 R10 共同组成式中的基团。 Qis-CHR-、-CO- 或-SO2-； 是 0 或 1； R2是氢或低级烷基；和 R3是羟基、-O-、低级烷氧基或-OM，M代表碱金属； 以及其易于水解的酯、所述化合物的药学上可接受的盐和式Ⅰ化合物及其酯和盐的水合物，以及这类化合物的制备、它们在治疗传染性疾病中的用途和含有这类化合物的药物制剂。
• Antimicrobial composition comprising a vinyyl pyrrolidinon derivative and a carbapenem antibiotic or a beta-lactamase inhibitor
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP0911030A2

  公开（公告）日：1999-04-28

  The invention relates to antimicrobial compositions comprising a combination of vinyl-pyrrolidinone cephalosporin derivatives of the general formula I with carbapenem antibiotics or with β-lactamase inhibitors, to the use of the compositions for producing a medicament for the treatment and prophylaxis of infectious diseases, including MRSA infections, and to pharmaceutical compositions containing the combination.

  本发明涉及由通式 I 的乙烯基吡咯烷酮头孢菌素衍生物与碳青霉烯类抗生素或 β-内酰胺酶抑制剂组合而成的抗菌组合物，该组合物用于生产治疗和预防感染性疾病 （包括 MRSA）的药物。 与碳青霉烯类抗生素或与β-内酰胺酶抑制剂的组合物，涉及使用该组合物生产治疗和预防传染性疾病（包括 MRSA 感染）的药物，还涉及含有该组合物的药物组合物。
• ALPHA HYDROXYACID ESTERS FOR SKIN AGING
  申请人：Yu, Ruey J., Dr.

  公开号：EP0831767A1

  公开（公告）日：1998-04-01
• EP0831767A4
  申请人：——

  公开号：EP0831767A4

  公开（公告）日：2000-05-17
• US6150350A
  申请人：——

  公开号：US6150350A

  公开（公告）日：2000-11-21