1-(2-Chloro-3-phenylquinolin-4-yl)-2-(3,5-difluorophenyl)-4-(dimethylamino)butan-2-ol | 861872-63-1

• 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: 1-(2-Chloro-3-phenylquinolin-4-yl)-2-(3,5-difluorophenyl)-4-(dimethylamino)butan-2-ol
• CAS: 861872-63-1
• 化学式: C₂₇H₂₅ClF₂N₂O
• 分子量: 466.958
• InChiKey: JDFFXUFRKJITKX-UHFFFAOYSA-N

物化性质

• 沸点：
  593.0±50.0 °C(Predicted)
• 密度：
  1.270±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  36.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2-Chloro-3-phenylquinolin-4-yl)-2-(3,5-difluorophenyl)-4-(dimethylamino)butan-2-ol 、 苯硼酸 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 甲醚 为溶剂， 以16%的产率得到2-(3,5-Difluorophenyl)-4-(dimethylamino)-1-(2,3-diphenylquinolin-4-yl)butan-2-ol
  参考文献：
  名称：

  [EN] QUINOLINE DERIVATIVES AS ANTIBACTERICAL AGENTS
  [FR] DERIVES DE QUINOLEINE UTILISES COMME AGENTS ANTIBACTERIENS

  摘要：

  公开号：

  WO2007014940A3
• 作为产物：
  描述：

  1-(3,5-difluorophenyl)-3-(dimethylamino)prop-1-one 在 正丁基锂 、 二异丙胺 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 3.25h， 以78%的产率得到1-(2-Chloro-3-phenylquinolin-4-yl)-2-(3,5-difluorophenyl)-4-(dimethylamino)butan-2-ol
  参考文献：
  名称：

  [EN] QUINOLINE DERIVATIVES AND USE THEREOF AS MYCOBACTERIAL INHIBITORS
  [FR] DERIVES DE QUINOLINE ET UTILISATION DE CEUX-CI EN TANT QU'INHIBITEURS MYCOBACTERIENS

  摘要：

  本发明涉及根据一般式(Ia)或一般式(Ib)的新型取代喹啉衍生物，其药学上可接受的酸或碱盐，其季铵盐，其立体化异构体形式，其互变异构体形式和其N-氧化物形式。所述化合物可用于治疗分枝杆菌病。

  公开号：

  WO2005070430A1

文献信息

• QUINOLINE DERIVATIVES AS ANTIBACTERICAL AGENTS
  申请人：Janssen Pharmaceutica NV

  公开号：EP1912647B1

  公开（公告）日：2013-09-11
• Novel mycobacterial inhibitors
  申请人：Guillemont Emile Georges Jerome

  公开号：US20070093478A1

  公开（公告）日：2007-04-26

  The present invention relates to novel substituted quinoline derivatives according to the general Formula (Ia) or the general Formula (Ib) the pharmaceutically acceptable acid or base addition salts thereof, the quaternary amines thereof, the stereochemically isomeric forms thereof the tautomers forms thereof and the N-oxide forms thereof. The claimed compounds are useful for the treatment of mycobacterial diseases. In particular, compounds are claimed in which, independently from each other, R 1 is halo; p=1; R 2 is optionally substituted alkyloxy, alkyl, Ar, Het, or a radical of formula R 3 is optionally substituted Ar or Het; q=1, R 4 and R 5 each independently are alkyl; R 6 is hydrogen or a radical of formula is equal to 0 or 1 and R 7 is hydrogen or Ar. Also claimed is a composition comprising a pharmaceutically acceptable carrier and, as active ingredient, a therapeutically effective amount of the claimed compounds, the use of the claimed compounds or compositions for the manufacture of a medicament for the treatment of mycobacterial diseases and a process for preparing the claimed compounds.
• Quinoline Derivatives as Antibacterial Agents
  申请人：Andries Koenraad Jozef Lodewijk Marcel

  公开号：US20080255116A1

  公开（公告）日：2008-10-16

  Use of a compound for the manufacture of a medicament for the treatment of a bacterial infection provided that the bacterial infection is other than a Mycobacterial infection, said compound being a compound of Formula (Ia) or (Ib) a pharmaceutically acceptable acid or base addition salt thereof, a quaternary amine thereof, a stereochemically isomeric form thereof, a tautomeric form thereof or a N-oxide form thereof, wherein R 1 is hydrogen, halo, haloalkyl, cyano, hydroxy, Ar, Het, alkyl, alkyloxy, alkylthio, alkyloxyalkyl, alkylthioalkyl, Ar-alkyl or di(Ar)alkyl; p is 1, 2 or 3; R 2 is hydrogen; alkyl; hydroxy; mercapto; optionally substituted alkyloxy; alkyloxyalkyloxy; alkylthio; mono or di(alkyl)amino wherein alkyl may optionally be substituted; Ar; Het or a radical of formula R 3 is alkyl, Ar, Ar-alkyl, Het or Het-alkyl; q is zero, 1, 2, 3 or 4; X is a direct bond or CH 2 ; R 4 and R 5 each independently are hydrogen, alkyl or benzyl; or R 4 and R 5 may be taken together including the N to which they are attached; R 6 is hydrogen or a radical of formula R 7 is hydrogen, alkyl, Ar or Het; R 8 is hydrogen or alkyl; R 9 is oxo; or R 8 and R 9 together form the radical —CH═CH—N═;
• NOVEL MYCOBACTERIAL INHIBITORS
  申请人：GUILLEMONT Jérôme Emile Georges

  公开号：US20110124870A1

  公开（公告）日：2011-05-26

  The present invention relates to novel substituted quinoline derivatives according to the general Formula (Ia) or the general Formula (Ib) the pharmaceutically acceptable acid or base addition salts thereof, the quaternary amines thereof, the stereochemically isomeric forms thereof, the tautomeric forms thereof and the N-oxide forms thereof. The claimed compounds are useful for the treatment of mycobacterial diseases. In particular, compounds are claimed in which, independently from each other, R 1 is halo; p=1; R 2 is optionally substituted alkyloxy, alkyl, Ar, Het, or a radical of formula R 3 is optionally substituted Ar or Het; q=1, R 4 and R 5 each independently are alkyl; R 6 is hydrogen or a radical of formula r is equal to 0 or 1 and R 7 is hydrogen or Ar. Also claimed is a composition comprising a pharmaceutically acceptable carrier and, as active ingredient, a therapeutically effective amount of the claimed compounds, the use of the claimed compounds or compositions for the manufacture of a medicament for the treatment of mycobacterial diseases and a process for preparing the claimed compounds.
• US7902225B2
  申请人：——

  公开号：US7902225B2

  公开（公告）日：2011-03-08