3-(2-Oxo-[1,4']bipiperidinyl-1'-ylmethyl)-2-phenyl-quinoline-4-carboxylic Acid | 433981-19-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3-(2-Oxo-[1,4']bipiperidinyl-1'-ylmethyl)-2-phenyl-quinoline-4-carboxylic Acid
• 英文别名: 3-[[4-(2-oxopiperidin-1-yl)piperidin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid
• CAS: 433981-19-2
• 化学式: C₂₇H₂₉N₃O₃
• 分子量: 443.546
• InChiKey: TVZGUKDKAWYRKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  73.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(2-Oxo-[1,4']bipiperidinyl-1'-ylmethyl)-2-phenyl-quinoline-4-carboxylic Acid 、 三乙胺 、 2-(1h-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate 、 (S)-(-)-1-苯丙胺 、 2-甲基-2-丁烯 在 乙酸乙酯 、 sodium hydroxide 、 水 、 magnesium sulfate 、 silica gel CH2Cl2 MeOH 作用下， 以 二氯甲烷 、 四氢呋喃 为溶剂， 反应 18.0h， 以to afford 0.360 g (yield 57%) of the title compound as a white solid的产率得到3-(2-Oxo-[1,4']bipiperidinyl-1'-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid ((s)-1-phenyl-ethyl)-amide
  参考文献：
  名称：

  Novel compounds

  摘要：

  公式（I）的某些化合物：或其药学上可接受的盐或水合物，制备这种化合物的过程，包含这种化合物的药物组合物以及在医学中使用这种化合物和组合物。

  公开号：

  US20060161004A1
• 作为产物：
  描述：

  3-(2-oxo-[1,4']bipiperidinyl-1'-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid methyl ester 在 丙酮 、 crude title compound 、 盐酸 作用下， 以 盐酸 为溶剂， 反应 2.0h， 生成 3-(2-Oxo-[1,4']bipiperidinyl-1'-ylmethyl)-2-phenyl-quinoline-4-carboxylic Acid
  参考文献：
  名称：

  Novel compounds

  摘要：

  公式（I）的某些化合物：或其药学上可接受的盐或水合物，制备这种化合物的过程，包含这种化合物的药物组合物以及在医学中使用这种化合物和组合物。

  公开号：

  US20060161004A1

文献信息

• NOVEL COMPOUNDS
  申请人：GlaxoSmithKline S.p.A.

  公开号：EP1339691A1

  公开（公告）日：2003-09-03
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：GLAXOSMITHKLINE SPA

  公开号：WO2002044154A1

  公开（公告）日：2002-06-06

  Certain compounds of formula (I) below or a pharmaceutically acceptable salt or hydrate thereof, wherein R1 is H or alkyl; R2 is R8R9; R8 is a single bond or alkyl, optionally substituted one or more times by hydroxy; R9 is aryl or cycloalkyl or heteroaryl, optionally substituted one or more times by hydroxy, alkoxy ou alkoxyalkyl; R3 is H or alkyl or cycloalkyl or cycloalkylalkyl, optionally substituted one or more times by hydroxy or by one or more fluorines; R4 is NR10R11; R10 and R11 Are independently selected from H or alkyl, or R10 and R11 together with the nitrogen atom to which they are attached form a saturated or unsaturated heterocyclic ring comprising 3-8 ring menbers, which heterocyclic ring is unsubstituted or is substituted one or more times by one or more substituents R12; R12 is oxo or R13R14R15, wherein R13 Is a single bond or alkyl, R14 is OC(O) or C(O)O, and R15 is H or alkyl; R5 is an alkyl, cycloalkyl, cycloalkylalkyl, aryl or single or fused ring aromatic heterocyclic group, which group is unsubstituted or is substituted one or more times by one or more substituents selected from halo such as fluoro, alkyl or haloalkyl such as fluoroalkyl; R6 represents H or up to three substituents independently selected from the list consisting of: alkyl, alkenyl, aryl, alkoxy or a hydroxylated derivative thereof, hydroxy, halogen, nitro, cyano, carboxy, carboxamido, sulphonamido, alkoxycarbonyl, haloalkyl such as trifluoromethyl, acyloxy, amino, mono- or di- alkylamino, alkoxyamido, alkoxycarboxylate or an esterified derivative thereof; R7 is H or halo; a is 1-6; and any of R1, R3, R5, R8, R10, R11 and R12 May optionally be substituted one or more times by halo, hydroxy, amino, cyano, nitro, carboxy or oxo; a process for preparing such compounds, a pharmaceutical composition comprising such compounds and the use of such compounds and composition in medicine.