4-Oxo-1,5,7,8-tetrahydro-4H-[1,6]naphthyridine-3,6-dicarboxylic acid diethyl ester | 102200-71-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-Oxo-1,5,7,8-tetrahydro-4H-[1,6]naphthyridine-3,6-dicarboxylic acid diethyl ester
• 英文别名: diethyl 4-oxo-4,5,7,8-tetrahydro-1,6-naphthyridine-3,6(1H)-dicarboxylate；diethyl 4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3,6-dicarboxylate
• CAS: 102200-71-5
• 化学式: C₁₄H₁₈N₂O₅
• 分子量: 294.307
• InChiKey: SOQLRAIWARXXHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  84.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-Oxo-1,5,7,8-tetrahydro-4H-[1,6]naphthyridine-3,6-dicarboxylic acid diethyl ester 在 三氯氧磷 作用下， 以 正丁醇 为溶剂， 生成 8-ethoxycarbonyl-2-p-chlorophenyl-2,3,6,7,8,9-hexahydropyrazolo[4,3-c][1,6]naphthyridine-3(5H)-one
  参考文献：
  名称：

  2,5-Dihydropyrazolo[4,3-c]pyridin-3-ones: functionally selective benzodiazepine binding site ligands on the GABAA receptor

  摘要：

  2,5-Dihydropyrazolo[4,3-c]pyridin-3-ones are GABA(A) receptor benzodiazepine binding site ligands with functional selectivity for the alpha(3) subtype over the alpha(1) subtype. SAR studies to optimise this functional selectivity are described. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.04.085
• 作为产物：
  描述：

  diethyl 2-[[(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)amino]methyl]propanedioate 生成 4-Oxo-1,5,7,8-tetrahydro-4H-[1,6]naphthyridine-3,6-dicarboxylic acid diethyl ester
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• INHIBITORS OF PI3 KINASE
  申请人：Bo Yunxin Y.

  公开号：US20110092504A1

  公开（公告）日：2011-04-21

  The present invention relates to compounds of Formula (I), or a pharmaceutically acceptable salt thereof; methods of treating diseases or conditions, such as cancer, using the compounds; and pharmaceutical compositions containing the compounds, wherein Q, X 1 , X 2 , R 1 and Z are as defined herein.

  本发明涉及式（I）的化合物，或其药学上可接受的盐；使用该化合物治疗疾病或病症的方法，例如癌症；以及含有该化合物的制药组合物，其中Q、X1、X2、R1和Z的定义如本文所述。
• 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。
• [EN] INHIBITORS OF PI3 KINASE<br/>[FR] INHIBITEURS DE LA PI3 KINASE
  申请人：AMGEN INC

  公开号：WO2009155121A3

  公开（公告）日：2010-02-18
• Condensed imidazopyridine derivatives with psychotropic activity
  申请人：SHIONOGI & CO., LTD.

  公开号：EP0556008B1

  公开（公告）日：1997-05-14
• YOKOYAMA, NAOKATA
  作者：YOKOYAMA, NAOKATA

  DOI：——

  日期：——