4-(7-Methoxy-6-oxazol-5-yl-4-oxo-1,4-dihydro-quinolin-2-yl)piperazine-1-carboxylic acid tert-butyl ester | 519052-60-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-(7-Methoxy-6-oxazol-5-yl-4-oxo-1,4-dihydro-quinolin-2-yl)piperazine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 4-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]piperazine-1-carboxylate
• CAS: 519052-60-9
• 化学式: C₂₂H₂₆N₄O₅
• 分子量: 426.472
• InChiKey: VJPJWMXSHWTKGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  97.1
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Quinolone derivatives
  申请人：——

  公开号：US20030105073A1

  公开（公告）日：2003-06-05

  Quinolone derivatives of formula (1) are described: 1 wherein: X is an O or S atom; R 1 is an aliphatic, cycloaliphatic, or cycloalkyl-alkyl-group; R 2 is a —CN group or an optionally substituted heteroaromatic group; R 3 is a hydrogen atom or an alkyl, —CN, —CO 2 H, —CO 2 R 6 or —CONR 7 R 8 group; R 4 is a chain -Alk 1 -L 1 -Alk 2 -R 9 ; R 5 is a hydrogen atom or an alkyl group; or NR 4 R 5 forms an optionally substituted heterocycloaliphatic ring optionally fused to an optionally substituted monocyclic C 6-12 aromatic group or an optionally substituted monocyclic C 1-9 heteroaromatic group; and the salts, solvates, hydrates, tautomers, isomers or N-oxides thereof. The compounds are potent inhibitors of IMPDH and are of use as immunosuppressants, anti-cancer agents, anti-inflammatory agents, antipsoriatic and anti-viral agents.

  描述了式（1）的喹诺酮衍生物：1其中：X是O或S原子；R1是脂肪族、环脂族或环烷基-烷基基团；R2是-CN基团或可选取代的杂芳基基团；R3是氢原子或烷基、-CN、-CO2H、-CO2R6或-CONR7R8基团；R4是链状-Alk1-L1-Alk2-R9；R5是氢原子或烷基；或NR4R5形成可选取代的杂环脂族环，可选择地融合到可选取代的单环C6-12芳香基团或可选取代的单环C1-9杂芳基团上；以及它们的盐、溶剂化物、水合物、互变异构体、同分异构体或N-氧化物。这些化合物是IMPDH的强效抑制剂，可用作免疫抑制剂、抗癌剂、抗炎剂、抗牛皮癣剂和抗病毒剂。
• [EN] 2-AMINOQUINOLONE DERIVATIVES FOR USE AS IMPDH INHIBITORS<br/>[FR] DERIVES DE 2-AMINOQUINOLONE UTILISES EN TANT QU'INHIBITEURS DE L'IMPDH
  申请人：CELLTECH R&D LTD

  公开号：WO2003035066A1

  公开（公告）日：2003-05-01

  Quinolone derivatives of formula (1) are described; wherein: X is an O or S atom; R1 is an aliphatic, cycloaliphatic, or cycloalkyl-alkyl-group; R2 is a -CN group or an optionally substituted heteroaromatic group; R3 is a hydrogen atom or an alkyl, -CN, -CO2H, -CO2R6 or -CONR7R8 group; R4 is a chain -Alk1-L1-Alk2-R9; R5 is a hydrogen atom or an alkyl group; or NR4R5 forms an optionaly substituted heterocycloaliphatic ring optionally fused to an optionally substituted monocylcic C 6-12 aromatic group or an optionally substituted monocyclic C 1-9 heteroaromatic group; and the salts, solvates, hydrates, tautomers, isomers or N-oxides thereof. The compounds are potent inhibitors of IMPDH and are of use as immunosuppressants, anti-cancer agents, anti-inflammatory agents, antipsoriatic and anti-viral agents.