3-<2-amino-6-<<(4-fluorophenyl)methyl>amino>-3-pyridinyl>-2-oxazolidinone

• 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: 3-<2-amino-6-<<(4-fluorophenyl)methyl>amino>-3-pyridinyl>-2-oxazolidinone
• 英文别名: 2-Amino-3-(oxazolidin-2-one-3-yl)-6-(4-fluorobenzylamino)-pyridine；3-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]-1,3-oxazolidin-2-one
• 化学式: C₁₅H₁₅FN₄O₂
• 分子量: 302.308
• InChiKey: AISFCQGJDHDXJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  80.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-bromoethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate 生成 3-<2-amino-6-<<(4-fluorophenyl)methyl>amino>-3-pyridinyl>-2-oxazolidinone
  参考文献：
  名称：

  ENGEL, J.;EMIG, P.;NICKEL, B.;, SRELENYL J.

  摘要：

  DOI：

文献信息

• Substituierte 3-(N-Heterocyclyl)-2,6-diaminopyridine und -N-oxide, ihre Herstellung und Verwendung als Arzneimittel
  申请人：ASTA Pharma Aktiengesellschaft

  公开号：EP0343429A1

  公开（公告）日：1989-11-29

  Verbindungen der allgemeinen Formel worin die Reste R₁ und R₂ gleich oder verschieden sind und Wasserstoff oder C₁-C₆-Alkyl bedeuten, die Reste R₃ und R₄ gleich oder verschieden sind und Wasserstoff, C₁-C₆-Alkyl, Hydroxy, C₁-C₆-Alkoxy, C₂-C₆-Alkanoyloxy, Halogen oder C₂-C₆-Alkanoyl bedeuten, X Sauerstoff, Schwefel oder die Gruppe -NR₅ darstellt und R₅ Wasserstoff, C₁-C₆-Alkyl, C₂-C₆-Alkanoyl oder Benzoyl ist, m und n jeweils die Zahlen 1, 2 oder 3 annehmen können und der Phenylrest A unsubstituiert ist oder durch Halogen, Nitro, C₁-C₆-Alkyl, Trifluormethyl, C₃-C₇-Cycloalkyl, Hydroxy, C₁-C₆-Alkoxy, C₂-C₆-Alkanoyloxy, Amino, C₁-C₆-Alkylamino, Di-C₁-C₆-alkylamino, C₂-C₆-Alkanoylamino, CN, Carboxy, C₁-C₆-Alkoxycarbonyl, Phenyl, C₁-C₆-Alkylphenyl oder Trifluormethylphenyl substituiert ist, deren Pyridin-N-­oxide und deren physiologisch verträgliche Salze, Verfahren zu deren Herstellung und Arzneimittel, die solche Verbin­dungen als Wirkstoffe enthalten.

  这是一段化学领域的描述，大致意思是： 一般式中，基团R₁和R₂可以相同或不同，代表氢原子或C₁-C₆烷基；基团R₃和R₄可以相同或不同，代表氢原子、C₁-C₆烷基、羟基、C₁-C₆烷氧基、C₂-C₆烷酰氧基、卤素或C₂-C₆烷酰基；符号X代表氧、硫或-NR₅基团，其中R₅代表氢原子、C₁-C₆烷基、C₂-C₆烷酰基或苯甲酰基；m和n分别可以是1、2或3；苯基A可以未被取代或被卤素、硝基、C₁-C₆烷基、三氟甲基、C₃-C₇环烷基、羟基、C₁-C₆烷氧基、C₂-C₆烷酰氧基、氨基、C₁-C₆烷基氨基、双C₁-C₆烷基氨基、C₂-C₆烷酰氨基、CN、羧基、C₁-C₆烷氧羰基、苯基、C₁-C₆烷基苯基或三氟甲基苯基取代；包括其吡啶-N-氧化物和生理相容性盐，以及制备这些化合物的方法和将其作为药物成分的药物。
• Substituted 3-(n-heterocyclic)-2,6-diaminopyridines and -n-oxides
  申请人：Asta Pharma Aktiengesellschaft

  公开号：US04923858A1

  公开（公告）日：1990-05-08

  Compounds of the general formula: ##STR1## wherein the radicals R.sub.1 and R.sub.2 are the same or different and represent hydrogen or C.sub.1 -C.sub.6 -alkyl, the radicals R.sub.3 and R.sub.4 are the same or different and represent hydrogen, C.sub.1 -C.sub.6 -alkyl, hydroxy, C.sub.1 -C.sub.6 -alkoxy, C.sub.2 -C.sub.6 -alkanoyloxy, halogen or C.sub.2 -C.sub.6 -alkanoyl, X is oxygen, sulphur or the group --NR.sub.5 and R.sub.5 is hydrogen, C.sub.1 -C.sub.6 -alkyl, C.sub.2 -C.sub.6 -alkanoyl or benzoyl, m and n in each case may represent the integers 1, 2 or 3 and the phenyl radical A is unsubsituted or is substituted by halogen, nitro, C.sub.1 -C.sub.6 -alkyl, trifluoromethyl, C.sub.3 -C.sub.7 -cycloalkyl, hydroxy, C.sub.1 -C.sub.6 -alkoxy, C.sub.2 -C.sub.6 -alkanoyloxy, amino, C.sub.1 -C.sub.6 -alkylamino, di-C.sub.1 -C.sub.6 -alkylamino, C.sub.2 -C.sub.6 -alkanoylamino, CN, carboxy, C.sub.1 -C.sub.6 -alkoxycarbonyl, phenyl, C.sub.1 -C.sub.6 -alkylphenyl or trifluoromethylphenyl, their pyridine-N-oxides and physiologically acceptable salts thereof, processes for their preparation and medicines containing such compounds as active ingredients.

  通式为##STR1##的化合物，其中基团R.sub.1和R.sub.2相同或不同，代表氢或C.sub.1-C.sub.6-烷基；基团R.sub.3和R.sub.4相同或不同，代表氢、C.sub.1-C.sub.6-烷基、羟基、C.sub.1-C.sub.6-烷氧基、C.sub.2-C.sub.6-酰氧基、卤素或C.sub.2-C.sub.6-酰基；X代表氧、硫或--NR.sub.5基团，其中R.sub.5代表氢、C.sub.1-C.sub.6-烷基、C.sub.2-C.sub.6-酰基或苯甲酰基；每种情况下的m和n可以表示整数1、2或3；苯基基团A未被取代或被卤素、硝基、C.sub.1-C.sub.6-烷基、三氟甲基、C.sub.3-C.sub.7-环烷基、羟基、C.sub.1-C.sub.6-烷氧基、C.sub.2-C.sub.6-酰氧基、氨基、C.sub.1-C.sub.6-烷基氨基、二C.sub.1-C.sub.6-烷基氨基、C.sub.2-C.sub.6-酰氨基、CN、羧基、C.sub.1-C.sub.6-烷氧羰基、苯基、C.sub.1-C.sub.6-烷基苯基或三氟甲基苯基取代；它们的吡啶-N-氧化物和生理上可接受的盐，以及制备它们的过程和包含这些化合物作为活性成分的药物。
• Synthesis and Quantitative Structure-Activity Relationships of Anticonvulsant 2,3,6-Triaminopyridines
  作者：Joachim K. Seydel、Klaus-J. Schaper、Eugene A. Coats、Hans P. Cordes、Peter Emig、Juergen Engel、Bernhard Kutscher、Emmanuel E. Polymeropoulos

  DOI：10.1021/jm00045a005

  日期：1994.9

  The synthesis of 2,3,6-triaminopyridine derivatives, representing a unique chemical structure for anticonvulsants, is described. The synthetic program was performed (a) to identify more potent analogs, (b) to determine structural properties controlling potency as well as neurotoxicity, and (c) to reduce the requirements for animal testing. As a result, besides other structural properties, the overall molecular Lipophilicity (log k', octanol-coated column) explained changes in anticonvulsant potency and neurotoxicity. Mimicking the interaction of the amphiphilic triaminopyridines with biological membranes, NMR experiments in the presence of lecithin vesicles were conducted in order to measure the phospholipid-binding parameter log h(1/T-2). Replacement of log k' with log Delta(1/T-2) in the correlation analysis afforded a more significant equation describing the anticonvulsant activity of 21 derivatives.
• ENGEL, J.;EMIG, P.;NICKEL, B.;, SRELENYL J.
  作者：ENGEL, J.、EMIG, P.、NICKEL, B.、, SRELENYL J.

  DOI：——

  日期：——
• Seydel Joachim K., Schaper Klaus-J., Coats Eugene A., Cordes Hans P., Emi+, J. Med. Chem, 37 (1994) N 19, S 3016-3022
  作者：Seydel Joachim K., Schaper Klaus-J., Coats Eugene A., Cordes Hans P., Emi+

  DOI：——

  日期：——