3-(2-chloro-benzyloxy)-2-(4-chloro-phenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-c]quinoline | 1117953-74-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(2-chloro-benzyloxy)-2-(4-chloro-phenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-c]quinoline
• 英文别名: 3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-c]quinoline；2-(4-chlorophenyl)-3-[(2-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinoline
• CAS: 1117953-74-8
• 化学式: C₂₃H₁₉Cl₂N₃O
• 分子量: 424.329
• InChiKey: RAHUQMWUVSMABB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-chloro-2-(4-chloro-phenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-c]quinoline 、 邻氯苄醇 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.5h， 生成 3-(2-chloro-benzyloxy)-2-(4-chloro-phenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[4,3-c]quinoline
  参考文献：
  名称：

  [EN] TRICYCLIC HETEROCYCLIC COMPOUNDS AS GABA A MODULATORS
  [FR] COMPOSÉS ORGANIQUES

  摘要：

  公开号：

  WO2009021957A3

文献信息

• Organic Compounds
  申请人：Hintermann Samuel

  公开号：US20110195950A1

  公开（公告）日：2011-08-11

  The invention relates to compound of the formula I in which R 1 represents an optionally substituted aryl group or an optionally substituted heteroaryl group; R 2 represents hydrogen or a substituent different from hydrogen; R 3 represents an optionally substituted aryl group, cycloalkyl group, heteroaryl group, heterocyclyl group; X 1 represents O, S, NR 4 , CR 4 2 ; X 2 represents O, S, NR 4 , CR 4 2 ; X 3 represents O, S, NR 4 , CR 4 2 ; X 4 represents O, S, NR 4 , CR 4 2 ; R 4 represents hydrogen or a substituent different from hydrogen; R 5 represents hydrogen or alkyl; Y represents O or S; m represents 0, 1, 2 or 3; n represents 0, 1, 2 or 3 in free base form or in acid addition salt form; to its preparation, to its use as medicament and to medicaments comprising it.

  本发明涉及一种式子I的化合物，其中R1代表可选取代的芳基或可选取代的杂芳基；R2代表氢或与氢不同的取代基；R3代表可选取代的芳基、环烷基、杂芳基、杂环烷基；X1、X2、X3和X4分别代表O、S、NR4、CR42；R4代表氢或与氢不同的取代基；R5代表氢或烷基；Y代表O或S；m在自由碱形式或酸盐形式下代表0、1、2或3；n在自由碱形式或酸盐形式下代表0、1、2或3；本发明还涉及其制备方法、作为药物的用途以及包含该化合物的药物。
• TRICYCLIC HETEROCYCLIC COMPOUNDS AS GABA A MODULATORS
  申请人：Novartis AG

  公开号：EP2188284A2

  公开（公告）日：2010-05-26
• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSÉS ORGANIQUES
  申请人：NOVARTIS AG

  公开号：WO2009021957A2

  公开（公告）日：2009-02-19

  The invention relates to compound of the formula (I), in which R1 represents an optionally substituted aryl group or an optionally substituted heteroaryl group; R2 represents hydrogen or a substituent different from hydrogen; R3 represents an optionally substituted aryl group, cycloalkyl group, heteroaryl group, heterocyclyl group; X1 represents O, S, NR4, CR42; X2 represents O, S, NR4, CR42; X3 represents 0O S, NR4, CR42; X4 represents O, S, NR4, CR42; R4 represents hydrogen or a substituent different from hydrogen; R5 represents hydrogen or alkyl; Y represents O or S; m represents 0, 1, 2 or 3; n represents 0, 1, 2 or 3 in free base form or in acid addition salt form; to its preparation, to its use as medicament and to medicaments comprising it.