disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate

• 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: disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate
• 化学式: C14H4N2Na2O8
• 分子量: 374.17
• InChiKey: UFVBOGYDCJNLPM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -8.11
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  180
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• [EN] COMPOUNDS OF '3-(5-SUSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF<br/>[FR] COMPOSÉS DE L'"ESTER DE L'ACIDE 3-(OXY-2,4-DINITRO-PHÉNYLE 5-SUBSTITUÉ)-2-OXO-PROPIONIQUE", PROCÉDÉ POUR LEUR PRÉPARATION ET LEURS APPLICATIONS
  申请人：ANTHEM BIOSCIENCES PVT LTD

  公开号：WO2014195896A1

  公开（公告）日：2014-12-11

  The present disclosure relates to compounds of Formula (I) and process of obtaining the same. Said compounds of Formula (I) is employed in the syntheses of pyrroloquinoline quinone (PQQ), 4,5-dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid 2-allyl ester, 5-ethoxy-5-hydroxy-4-oxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 5- hydroxy-6-(1,1,4-trioxo-1 lambda* 6*-1,2, 5 -thiadiazolidin-2-yl)-1H-indole-2-carboxylic acid and its pharmaceutically acceptable salts. Said syntheses of compounds via. compounds of Formula (I) as intermediates employ minimum number of steps resulting in a shorter process and has improved efficiency along with many other advantages.

  本公开涉及式（I）的化合物及其制备方法。所述的式（I）化合物用于合成吡咯喹醌（PQQ）、4,5-二氧-4,5-二氢-1H-吡咯[2,3-f]喹啉-2,7,9-三羧酸-2-丙烯酯、5-乙氧基-5-羟基-4-氧代-4,5-二氢-1H-吡咯[2,3-f]喹啉-2,7,9-三羧酸、5-羟基-6-(1,1,4-三氧代-1λ6*-1,2,5-噻二唑啉-2-基)-1H-吲哚-2-羧酸及其药用盐。通过式（I）化合物为中间体的化合物的合成使用最少的步骤，从而缩短了过程并提高了效率，同时具有许多其他优点。
• COMPOUNDS OF 3-(5-SUSTITUTED OXY-2, 4-DINITROPHENYL)-2-OXO-PROPIONIC ACID ESTER, SYNTHESIS AND APPLICATIONS THEREOF
  申请人：ANTHEM BIOSCIENCES PVT.LTD

  公开号：US20140364613A1

  公开（公告）日：2014-12-11

  Synthesis of the novel compound 3 (3-(5-substituted Oxy-2,4-dinitro-phenyl)-2-oxo-propionic acid ester) to make Pyrroloquinoline quinone (PQQ) and using it for pharmaceutical purposes is described. More specifically, this disclosure relates to synthesizing the PQQ in an efficient method by using a novel intermediate Formula 1 resulting in a shorter process and higher yield of PQQ. A unique process to make sodium compound of PQQ using either sodium hydroxide and/or sodium carbonate is also shown.

  描述了合成新化合物3（3-(5-取代氧基-2,4-二硝基苯基)-2-氧代丙酸酯）以制备吡咯喹啉喹醌（PQQ），并将其用于药用目的。更具体地，本公开涉及通过使用一种新型中间体Formula 1以高效方法合成PQQ，从而实现更短的过程和更高的PQQ产量。还展示了一种使用氢氧化钠和/或碳酸钠制备PQQ的独特过程。
• [EN] POLYMORPHIC FORMS OF 4,5-DIHYDRO-1H-PYRROLO[2,3-F]QUINOLINE-2,7,9-TRICARBOXYLIC ACID AND ITS DISODIUM SALT, PROCESS FOR THEIR PREPARATION AND THEIR USE<br/>[FR] FORMES POLYMORPHES DE L'ACIDE 4,5-DIHYDRO-1H-PYRROLO[2,3-F]QUINOLINE-2,7,9-TRICARBOXYLIQUE ET DE SON SEL DE DISODIUM, PROCÉDÉ DE PRÉPARATION DESDITES FORMES POLYMORPHES ET LEUR UTILISATION
  申请人：ANTHEM BIOSCIENCES PRIVATE LTD

  公开号：WO2015159236A1

  公开（公告）日：2015-10-22

  The present disclosure relates to polymorphic form of PQQ and/or its salts represented by formula (I), wherein "n" and "m" are selected from a group consisting of: (a) "n" = 3, "m" = 0 and (b) "n" = 1, "m" = 2; and; R3 is Na+. The present disclosure also relates to a process for preparing the polymorphic form of compound of formula (I) and/or its salts, a composition comprising the polymorphic form of compound of formula (I) and/or its salts and use thereof.

  本公开涉及由式(I)表示的PQQ的多形式和/或其盐，其中“n”和“m”从以下组成的一组中选择：(a)“n”=3，“m”=0和(b)“n”=1，“m”=2；以及；R3为Na +。本公开还涉及制备式(I)化合物的多形式和/或其盐的过程，包括多形式和/或其盐的组合物和其使用。
• CRYSTAL OF PYRROLOQUINOLINEQUINONE DISODIUM SALT, AND METHOD FOR PRODUCING SAME
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：EP2722331B1

  公开（公告）日：2017-09-06
• COMPOUNDS OF '3-(5-SUBSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF
  申请人：Anthem Biosciences Pvt Ltd

  公开号：EP3004047B1

  公开（公告）日：2017-02-22