(RS)-triphenyl-(1-thiophen-2-ylmethyl-2-oxo-pyrrolidin-3-yl)-phosphonium bromide | 188533-54-2

• 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: (RS)-triphenyl-(1-thiophen-2-ylmethyl-2-oxo-pyrrolidin-3-yl)-phosphonium bromide
• 英文别名: [2-Oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-triphenylphosphanium;bromide
• CAS: 188533-54-2
• 化学式: Br*C₂₇H₂₅NOPS
• 分子量: 522.445
• InChiKey: FDPSASBOONBMOR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.85
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  48.6
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

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

  公开号：EP0761673A1

  公开（公告）日：1997-03-12

  The present invention relates to cephalosporin derivatives of the general formula I wherein R1is a group selected from 2-, 3- and 4-hydroxyphenyl, 2- and 3-methoxyphenyl, 4-carboxyphenyl, 4-carbamoylphenyl, 3-trifluoromethylphenyl, 2- and 3-fluorophenyl, 3-nitrophenyl, 3-fluoro-4-hydroxyphenyl, 2-fluoro-4-hydroxyphenyl, 3-fluoro-2-hydroxyphenyl, 3-, 4-dihydroxyphenyl, benzyl, -CHR-phenyl, 3-hydroxybenzyl, 4-aminobenzyl, 2-, 3- and 4-fluorobenzyl, 2-, 3- and 4-methoxybenzyl, 4-nitrobenzyl, 4-carboxybenzyl, 4-trifluoromethylbenzyl, 1-naphthyl and 2-naphthyl, all hydroxy, amino, carboxy and carbamoyl substituents optionally being substituted, or is pyridinyl mono-substituted with halogen, pyrimidyl, pyrazinyl di-substituted with lower alkyl, pyridazinyl mono-substituted with halogen, piperidinyl in which the amino group may be substituted by an acyl group, thiadiazolyl, oxo-tetrahydrofuranyl, thiophenyl mono-substituted with lower alkoxycarbonyl or carbamoyl, tetrazolyl-lower alkyl, tetrahydrofuranyl-lower alkyl, thiophenyl-lower alkyl or benzimidazolyl-lower alkyl; and Ris carboxy or esterified carboxy; 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 well as the their use and the process for manufacturing such compounds.

  本发明涉及公式I的头孢菌素衍生物，其中R1是从2-、3-和4-羟基苯基、2-和3-甲氧基苯基、4-羧基苯基、4-氨基甲酰基苯基、3-三氟甲基苯基、2-和3-氟苯基、3-硝基苯基、3-氟-4-羟基苯基、2-氟-4-羟基苯基、3-氟-2-羟基苯基、3-、4-二羟基苯基、苄基、-CHR-苯基、3-羟基苄基、4-氨基苄基、2-、3-和4-氟苄基、2-、3-和4-甲氧基苄基、4-硝基苄基、4-羧基苄基、4-三氟甲基苄基、1-萘基和2-萘基中选择的基团，所有羟基、氨基、羧基和氨甲酰基取代基均可取代，或是单卤代的吡啶基、嘧啶基、二取代的吡嗪基、单卤代的吡嗪基、哌啶基，其中氨基基团可以被酰基取代，噻二唑基、氧代四氢呋喃基、单取代的噻吩基，取代基为低碳基氧羰基或氨甲酰基，四氮唑基-低碳基，四氢呋喃基-低碳基，噻吩基-低碳基或苯并咪唑基-低碳基；和R是羧基或酯化羧基；这些化合物的容易水解的酯，其药学上可接受的盐以及公式I和其酯和盐的化合物的水合物，以及它们的使用和制造这些化合物的过程。
• BETA-LACTAMS
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0912574A1

  公开（公告）日：1999-05-06
• US5804577A
  申请人：——

  公开号：US5804577A

  公开（公告）日：1998-09-08
• US6218379B1
  申请人：——

  公开号：US6218379B1

  公开（公告）日：2001-04-17
• [EN] BETA-LACTAMS<br/>[FR] BETA-LACTAMINES
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：WO1997045429A1

  公开（公告）日：1997-12-04

  (EN) The present invention is concerned with $g(b)-lactams of formula (I) which differ from known $g(b)-lactams by the residue A, and in which A signifies a group of formula (b1) or (b2) wherein R3 signifies aryl or heterocyclyl; and R4 signifies hydrogen, hydroxy, lower (cyclo)alkyl, lower alkoxy, lower (cyclo)alkenyl, lower alkynyl, aralkyl, aryl, aryloxy, aralkoyloxy, heterocyclyl or heterocyclylalkyl, with lower (cyclo)alkyl, lower alkoxy, lower (cyclo)alkenyl, aralkyl, aryl, aryloxy, aralkoyloxy or the heterocyclic ring being unsubstituted or substituted by carboxy, amino, nitro, cyano, lower alkyl, benzyl, lower alkoxy, hydroxy, halogen, -CONR5R6, -CH2-CONR5R6, -N(R6)COOR7, R6CO-, R6OCO- or R6COO- in which R5 signifies hydrogen, lower alkyl or lower cycloalkyl; R6 signifies hydrogen or lower alkyl; and R7 signifies hydrogen, lower alkyl, lower alkenyl or a carboxylic acid protecting group; and pharmaceutically compatible, readily hydrolyzable esters and salts of these compounds.(FR) Cette invention concerne des bêta-lactamines de formule (I) qui différent des bêta-lactamines connues par le reste A, A représentant un groupe de formule (b1) ou (b2). Dans ces formules R3 représente aryle ou hétérocyclyle; et R4 représente hydrogène, hydroxy, (cyclo)alkyle inférieur, alcoxy inférieur, (cyclo)alcényle inférieur, alcynyle inférieur, aralkyle, aryle, aryloxy, aralcoyloxy, hétérocyclyle ou hétérocyclylalkyle, (cyclo)alkyle inférieur, alcoxy inférieur, (cyclo)alcényle inférieur, aralkyle, aryle, aryloxy, aralcoyloxy ou l'anneau hétérocyclique étant non substitué ou substitué par carboxy, amino, nitro, cyano, alkyle inférieur, benzyle, alcoxy inférieur, hydroxy, halogène, -CONR5R6, -CH2-CONR5R6, -N(R6)COOR7, R6CO-, R6OCO- ou R6COO- dans lesquels R5 représente hydrogène, alkyle inférieur ou cycloalkyle inférieur; R6 représente hydrogène ou alkyle inférieur; et R7 représente hydrogène, alkyle inférieur, alcényle inférieur ou un groupe inhibant acide carboxylique. Cette invention concerne également des esters pharmaceutiquement compatibles et facilement hydrolisables et des sels de ces composés.