CGS 17867A | 102230-69-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: CGS 17867A
• 英文别名: 2-p-chlorophenyl-2,3,6,7,8,9-hexahydropyrazolo[4,3-c]quinolin-3(5H)-one；2-(4-chloro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo[4,3-c]quinolin-3-one
• CAS: 102230-69-3
• 化学式: C₁₆H₁₄ClN₃O
• 分子量: 299.76
• InChiKey: OJVURBSORBSWLX-UHFFFAOYSA-N

物化性质

• 沸点：
  441.2±55.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  50.68
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  CGS 17867A 在 三氯氧磷 作用下， 反应 1.0h， 生成 3-chloro-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
• 作为产物：
  描述：

  对氯苯肼盐酸盐 、 4-chloro-5,6,7,8-tetrahydro-quinoline-3-carboxylic acid ethyl ester 在 三乙胺 作用下， 以 正丁醇 为溶剂， 反应 1.0h， 生成 CGS 17867A
  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。
• Certain ring-fused pyrazolo [3,4-d]-pyridin-3-one derivatives
  申请人：CIBA-GEIGY AG

  公开号：EP0168350A2

  公开（公告）日：1986-01-15

  Compounds of the formula IA or IB wherein A represents an optically substituted saturated divalent grouping which together with the two carbon atoms to which it is attached represents a fused 5-, 6- or 7- membered carbocyclic or heterocyclic ring selected from optionally substituted fused cyclopenteno, cyclohexeno, cyclohepteno, dihydrothieno, dihydrothiopyrano, tetrahydrothiepino, dihydrofuro, dihydropyrano, tetrahydrooxepino, dihydropyrrolo, tetrahydropyrido and tetrahydroazepino; R, represents lower alkyl, phenyl, or phenyl mono- or disubstituted by lower alkyl, lower alkoxy, halogen or trifluoromethyl; or R1 represents an aromatic heterocyclic radical selected from e.g. optionally substituted pyridyl, quinolyl, isoquinolyl, pyrimidyl and thiazolyl; R2, R3, R3' are hydrogen or lower alkyl; and pharmaceutically acceptable salts; are useful as benzodiazepine receptor modulators for the treatment of nervous system disorders. Pharmaceutical compositions, methods of preparation and certain intermediates useful as benzodiazepine receptor modulators are also disclosed.

  式 IA 或 IB 的化合物 其中 A 代表被光学取代的饱和二价基团，该基团与所连接的两个碳原子一起代表一个融合的 5、6 或 7 位碳环或杂环，该环可选自任选取代的融合环戊烯基、环己烯基、环庚烯基、二氢噻吩基、二氢噻喃基、四氢噻吩基、二氢噻吩基二氢噻吩酮、二氢硫吡喃酮、四氢硫杂环酮、二氢呋喃酮、二氢吡喃酮、四氢氧杂环酮、二氢吡咯酮、四氢吡啶酮和四氢氮杂环酮；R，代表低级烷基、苯基或由低级烷基、低级烷氧基、卤素或三氟甲基单取代或二取代的苯基；或 R1 代表芳香杂环基，选自如 下化合物g.任选取代的吡啶基、喹啉基、异喹啉基、嘧啶基和噻唑基；R2、R3、R3'为氢或低级烷基；以及药学上可接受的盐；可用作苯并二氮杂卓受体调节剂，用于治疗神经系统疾病。此外，还公开了用作苯二氮卓受体调节剂的药物组合物、制备方法和某些中间体。
• TRICYCLIC HETEROCYCLIC COMPOUNDS AS GABA A MODULATORS
  申请人：Novartis AG

  公开号：EP2188284A2

  公开（公告）日：2010-05-26
• US4602014A
  申请人：——

  公开号：US4602014A

  公开（公告）日：1986-07-22
• [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.