N'-[[(3R,4R)-4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N'-[[(3R,4R)-4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]propane-1,3-diamine
• 化学式: C₂₀H₃₄FN₃
• 分子量: 335.5
• InChiKey: YNYKCTFHKKTCEZ-QUCCMNQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  41.3
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Piperidine compounds, their preparation and use in the treatment of neurodegenerative disorders
  申请人：NOVO NORDISK A/S

  公开号：EP0639568A1

  公开（公告）日：1995-02-22

  The novel compounds are useful in the treatment of anoxia, traumatic injury, ischemia, migraine, epilepsy, Parkinson's disease, Alzheimer's disease and other neurodegenerative diseases, are of formula I wherein A is or - O - R⁴ wherein R² and R³ independently are hydrogen, straight or branched C₁#SB-#₆-alkyl optionally substituted with an amino group which amino group is optionally mono of disubstituted with straight or branched C₁#SB-#₆-alkyl, straight or branched C₂#SB-#₆-alkenyl or straight or branched C₂#SB-#₆-alkynyl; or R² and R³ together form a 5 or 6 membered heterocyclic ring containing one to four N, O or S atom(s) or a combination thereof which heterocyclic ring is optionally substituted at a carbon or nitrogen atom with straight or branched C₁#SB-#₆-alkyl, straight or branched C₂#SB-#₆-alkenyl, straight or branched C₂#SB-#₆-alkynyl or phenyl which phenyl group is optionally substituted with halogen, C₁#SB-#₄-alkyl, C₁#SB-#₄-alkoxy or trifluoromethyl, or one or two carbon atom(s) in the heterocyclic ring together with one or two oxygen atom(s) form one or two carbonyl group(s), or which heterocyclic ring is optionally fused with a benzo group; and R⁴ is straight or branched C₁#SB-#₆-alkyl optionally substituted with an amino group which amino group is optionally mono or disubstituted with straight or branched C₁#SB-#₆-alkyl, straight or branched C₂#SB-#₆-alkenyl or C₂#SB-#₆-alkynyl; and R¹ is hydrogen, straight or branched C₁#SB-#₆-alkyl optionally substituted with halogen, C₁#SB-#₆-alkoxy, phenyl or phenoxy, straight or branched C₂#SB-#₆-alkenyl or straight or branched C₂#SB-#₆-alkynyl; and X is hydrogen, halogen, cyano, C₁#SB-#₄-alkyl, C₁#SB-#₄-alkoxy, hydroxy, nitro, trifluoromethyl or an amino group optionally mono or disubstituted with straight or branched C₁#SB-#₆-alkyl, or a pharmaceutically acceptable salt thereof.

  这些新化合物可用于治疗缺氧、创伤性损伤、缺血、偏头痛、癫痫、帕金森病、阿尔茨海默病和其他神经退行性疾病，其化学式为I，其中：A为-O-R⁴或-O-，其中R²和R³独立地为氢、直链或支链C₁#SB-#₆烷基，其上可选地取代有氨基，所述氨基可选地为直链或支链C₁#SB-#₆烷基，直链或支链C₂#SB-#₆烯基或直链或支链C₂#SB-#₆炔基；或R²和R³共同形成一个含有1至4个N、O或S原子或其组合的5或6元杂环，所述杂环在碳或氮原子上可选地取代有直链或支链C₁#SB-#₆烷基，直链或支链C₂#SB-#₆烯基，直链或支链C₂#SB-#₆炔基或苯基，所述苯基可选地取代有卤素、C₁#SB-#₄烷基、C₁#SB-#₄-烷氧基或三氟甲基，或者所述杂环中的一或两个碳原子与一或两个氧原子结合形成一或两个羰基；或所述杂环可选地与苯环融合；R⁴为直链或支链C₁#SB-#₆烷基，其上可选地取代有氨基，所述氨基可选地为直链或支链C₁#SB-#₆烷基，直链或支链C₂#SB-#₆烯基或C₂#SB-#₆炔基；R¹为氢、直链或支链C₁#SB-#₆烷基，其上可选地取代有卤素、C₁#SB-#₆烷氧基、苯基或苯氧基，直链或支链C₂#SB-#₆烯基或直链或支链C₂#SB-#₆炔基；X为氢、卤素、氰基、C₁#SB-#₄烷基、C₁#SB-#₄-烷氧基、羟基、硝基、三氟甲基或可选地单取代或双取代直链或支链C₁#SB-#₆烷基的氨基，或其药学上可接受的盐。