5-(2-methyl-2-nitropropyl)-8-hydroxyquinoline

• 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: 5-(2-methyl-2-nitropropyl)-8-hydroxyquinoline
• 英文别名: 5-(2-Methyl-2-nitropropyl)quinolin-8-ol
• 化学式: C₁₃H₁₄N₂O₃
• 分子量: 246.266
• InChiKey: FFRIZCPWAUKUTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  78.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-硝基丙烷 、 5-(氯甲基)-8-羟基喹啉盐酸盐 在 potassium tert-butylate 、 水 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以43%的产率得到5-(2-methyl-2-nitropropyl)-8-hydroxyquinoline
  参考文献：
  名称：

  Pharmaceutical compositions comprising iron chelators for the treatment of neurodegenerative disorders and some novel iron chelators

  摘要：

  使用式(I)的化合物，其中R1是H或烃基；R2是疏水基团；R3是3-(C2-C6)酰基-4-羟基苯基，3-羟基亚氨基(C2-C6)-烷基-4-羟基苯基，或COOZ，其中Z是H，(C1-C6)烷基，芳基，芳基或芳基(C1-C6)烷基；n为1-20；以及使用式(II)的化合物，其中R4是(C1-C6)烷基，氰基(C1-C6)烷基，(C1-C6)氧基(C1-C6)烷基或—CH2NR7R8，其中R7和R8，相同或不同，各为H或(C1-C6)烷基，或与N原子一起形成一个饱和或不饱和的5-7元环，可选择地含有进一步选择自N、O或S的杂原子，进一步的N原子可选择地被取代，且R5为H且R6为(C2-C6)酰基或羟亚氨基(C2-C6)烷基，或R5和R6与苯环一起形成喹啉、1,2,3,4-四氢喹啉或全氢喹啉环，用于制备治疗帕金森病或中风的药物组合物。

  公开号：

  US06855711B1

文献信息

• NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS
  申请人：YEDA RESEARCH AND DEVELOPMENT Co. LTD.

  公开号：EP1189606A2

  公开（公告）日：2002-03-27
• US6855711B1
  申请人：——

  公开号：US6855711B1

  公开（公告）日：2005-02-15
• [EN] PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS AND SOME NOVEL IRON CHELATORS<br/>[FR] COMPOSITIONS PHARMACEUTIQUES COMPRENANT DES AGENTS CHELATEURS DE FER DESTINEES AU TRAITEMENT DE TROUBLES NEURODEGENERATIFS ET NOUVEAUX AGENTS CHELATEURS DE FER
  申请人：YEDA RES & DEV

  公开号：WO2000074664A2

  公开（公告）日：2000-12-14

  Use of a compound of formula (I), wherein R1 is H or hydrocarbyl; R2 is a hydrophobic radical; R3 is 3-(C¿2?-C6)acyl-4-hydroxyphenyl, 3-hydroxyimino(C2-C6)-alkyl-4-hydroxyphenyl, or COOZ, wherein Z is H, (C1-C6)alkyl, aryl or ar(C1-C6)alkyl; and n is 1-20; and of a compound of formula (II), wherein R?4¿ is (C¿1?-C6)acyl, nitro(C1-C6)alkyl, cyano(C1-C6)alkyl, (C1-C6)alkoxy(C1-C6)alkyl or -CH2NR?7R8¿, wherein R?7 and R8¿, the same or different, is each H or (C¿1?-C6)alkyl, or together with the N atom form a saturated or unsaturated 5-7 membered ring optionally containing a further heteroatom selected from N, O or S, the further N atom being optionally substituted, and either R?5¿ is H and R6 is (C¿2?-C6) acyl or hydroxyimino(C2-C6)alkyl, or R?5 and R6¿ together with the phenyl ring form a quinoline, a 1,2,3,4-tetrahydroquinoline or a perhydroquinoline ring, for the preparation of pharmaceutical compositions for the treatment of Parkinson's disease or stroke.
• Pharmaceutical compositions comprising iron chelators for the treatment of neurodegenerative disorders and some novel iron chelators
  申请人：Warshawsky Rivka

  公开号：US06855711B1

  公开（公告）日：2005-02-15

  Use of a compound of formula (I), wherein R 1 is H or hydrocarbyl; R 2 is a hydrophobic radical; R 3 is 3-(C 2 -C 6 )acyl-4-hydroxyphenyl, 3-hydroxyimino (C 2 -C 6 )-alkyl-4-hydroxyphenyl, or COOZ, wherein Z is H, (C 1 -C 6 ) alkyl, aryl, aryl or ar(C 1 -C 6 ) alkyl; and n is 1-20; and of a compound of formula (II), wherein R 4 is (C 1 -C 6 ) alkyl, cyano (C 1 -C 6 ) alkyl, (C 1 -C 6 ) alkoxy (C 1 -C 6 ) alkyl or —CH 2 NR 7 R 8 , wherein R 7 and R 8 , the same or different, is each H or (C 1 -C 6 ) alkyl, or together with the N atom form a saturated or unsaturated 5-7 membered ring optionally containing a further heteroatom selected from N, O or S, the further N atom being optionally substituted, and either R 5 is H and R 6 is (C 2 -C 6 ) acyl or hydroxyimino (C 2 -C 6 ) alkyl, or R 5 and R 6 together with the phenyl ring form a quinoline, a 1,2,3,4-tetrahydroquinoline or a perhydroquinoline ring, for the preparation of pharmaceutical compositions for the treatment of Parkinson's disease or stroke.

  使用式(I)的化合物，其中R1是H或烃基；R2是疏水基团；R3是3-(C2-C6)酰基-4-羟基苯基，3-羟基亚氨基(C2-C6)-烷基-4-羟基苯基，或COOZ，其中Z是H，(C1-C6)烷基，芳基，芳基或芳基(C1-C6)烷基；n为1-20；以及使用式(II)的化合物，其中R4是(C1-C6)烷基，氰基(C1-C6)烷基，(C1-C6)氧基(C1-C6)烷基或—CH2NR7R8，其中R7和R8，相同或不同，各为H或(C1-C6)烷基，或与N原子一起形成一个饱和或不饱和的5-7元环，可选择地含有进一步选择自N、O或S的杂原子，进一步的N原子可选择地被取代，且R5为H且R6为(C2-C6)酰基或羟亚氨基(C2-C6)烷基，或R5和R6与苯环一起形成喹啉、1,2,3,4-四氢喹啉或全氢喹啉环，用于制备治疗帕金森病或中风的药物组合物。