吡啶-3,4-二羧酸乙酯 | 16082-13-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 吡啶-3,4-二羧酸乙酯
• 英文名称: pyridazine-3,4-dicarboxylic acid diethyl ester
• 英文别名: diethyl pyridazine-3,4-dicarboxylate；Diethylpyridazin-3,4-dicarboxylat；3,4-Bis-ethoxycarbonyl-pyridazin
• CAS: 16082-13-6
• 化学式: C₁₀H₁₂N₂O₄
• mdl: MFCD11506290
• 分子量: 224.216
• InChiKey: OKTDNBVRYCDLQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  78.4
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  吡啶-3,4-二羧酸乙酯 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 0.25h， 生成 4-哒嗪羧酸
  参考文献：
  名称：

  Vors, Jean-Pierre, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 3, p. 579 - 582

  摘要：

  DOI：
• 作为产物：
  描述：

  草酰乙酸二乙酯 在 磺酰氯 、 溴 、 溶剂黄146 、 三乙胺 作用下， 以 异丙醚 、 1,2-二氯乙烷 为溶剂， 反应 63.0h， 生成 吡啶-3,4-二羧酸乙酯
  参考文献：
  名称：

  Vors, Jean-Pierre, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 3, p. 579 - 582

  摘要：

  DOI：

文献信息

• [EN] ALDOSE REDUCTASE INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE L'ALDOSE RÉDUCTASE ET LEURS UTILISATIONS
  申请人：UNIV COLUMBIA

  公开号：WO2012009553A1

  公开（公告）日：2012-01-19

  The present invention relates to novel compounds and pharmaceutical compositions thereof, and methods for promoting healthy aging of skin, the treatment of skin disorders, the treatment of cardiovascular disorders, the treatment of renal disorders, the treatment of angiogenesis disorders, such as cancer, treatment of tissue damage, such as non-cardiac tissue damage, the treatment of evolving myocardial infarction, and the treatment of various other disorders, such as complications arising from diabetes with the compounds and compositions of the invention. Other disorders can include, but are not limited to, atherosclerosis, coronary artery disease, diabetic nephropathy, diabetic neuropathy, diabetic retinopathy, infections of the skin, peripheral vascular disease, stroke, and the like.

  本发明涉及新型化合物及其制药组合物，以及促进皮肤健康老化、治疗皮肤疾病、治疗心血管疾病、治疗肾脏疾病、治疗血管生成异常如癌症、治疗组织损伤如非心脏组织损伤、治疗急性心肌梗死的演变和使用本发明中的化合物和组合物治疗各种其他疾病，如糖尿病并发症等。其他疾病可以包括但不限于动脉粥样硬化、冠状动脉疾病、糖尿病肾病、糖尿病神经病变、糖尿病视网膜病变、皮肤感染、周围血管疾病、中风等。
• Hiv integrase inhibitors
  申请人：Verschueren Wim Gaston

  公开号：US20060211724A1

  公开（公告）日：2006-09-21

  The present invention concerns the compounds having the formula (1), N-oxides, salts, stereoisomeric forms, racemic mixtures, prodrugs, esters and metabolites thereof wherein (a) or (b); A, together with the two carbons of the phenyl ring to which it is attached forms a monocyclic aryl or a monocyclic Het 2 ; R 1 is hydrogen, halo, nitro, cyano, sultam, sultim, C 3-7 cycloalkyl, C(═O)—R 5 , S(═O) y —R 6 , OR 7 , NR 8 R 9 , C(═NR 8 )—R 5 , optionally polysubstituted C 1-6 alkyl, optionally polysubstituted C 2-6 alkenyl or optionally polysubstituted C 2-6 alkynyl; R 2 is hydrogen, C 3-7 cycloalkyl, aryl, Het 1 , Het 2 , C(═O)—R 5 , S(═) y —R 6 OR 7 , NR 8 R 9 , C═NR 8 )—R 5 , or optionally polysubstituted C 1-6 alkyl, optionally polysubstituted C 2-6 alkenyl or optionally polysubstituted C 2-6 alkynyl. It further relates to their use as HIV integrase inhibitors, processes for their preparation as well as pharmaceutical compositions and diagnostic kits comprising them. It also concerns combinations thereof with other anti-retroviral agents, and to their use in assays as reference compounds or as reagents.

  本发明涉及具有式（1）的化合物，N-氧化物，盐，立体异构体，外消旋混合物，前药，酯和其代谢物，其中（a）或（b）; A与其附着的苯环的两个碳形成单环芳基或单环Het2; R1是氢，卤素，硝基，氰基，磺酰胺，磺酰亚胺，C3-7环烷基，C（═O）-R5，S（═O）y-R6，OR7，NR8R9，C（═NR8）-R5，可选地多取代的C1-6烷基，可选地多取代的C2-6烯基或可选地多取代的C2-6炔基; R2是氢，C3-7环烷基，芳基，Het1，Het2，C（═O）-R5，S（═）y-R6OR7，NR8R9，C═NR8）-R5，或可选地多取代的C1-6烷基，可选地多取代的C2-6烯基或可选地多取代的C2-6炔基。它进一步涉及它们作为HIV整合酶抑制剂的用途，它们的制备过程以及包含它们的制药组合物和诊断试剂盒。它还涉及它们与其他抗逆转录病毒药物的组合，以及它们作为参考化合物或试剂在测定中的使用。
• ALDOSE REDUCTASE INHIBITORS AND USES THEREOF
  申请人：WASMUTH Andrew

  公开号：US20130225592A1

  公开（公告）日：2013-08-29

  The present invention relates to novel compounds and pharmaceutical compositions thereof, and methods for promoting healthy aging of skin, the treatment of skin disorders, the treatment of cardiovascular disorders, the treatment of renal disorders, the treatment of angiogenesis disorders, such as cancer, treatment of tissue damage, such as non-cardiac tissue damage, the treatment of evolving myocardial infarction, and the treatment of various other disorders, such as complications arising from diabetes with the compounds and compositions of the invention. Other disorders can include, but are not limited to, atherosclerosis, coronary artery disease, diabetic nephropathy, diabetic neuropathy, diabetic retinopathy, infections of the skin, peripheral vascular disease, stroke, and the like.

  本发明涉及新型化合物及其制药组合物，以及促进皮肤健康老化、治疗皮肤疾病、治疗心血管疾病、治疗肾脏疾病、治疗血管生成障碍（如癌症）、治疗组织损伤（如非心脏组织损伤）、治疗心肌梗死发展以及使用本发明的化合物和组合物治疗其他各种疾病（如糖尿病并发症）。其他疾病可以包括但不限于动脉粥样硬化、冠状动脉疾病、糖尿病肾病、糖尿病神经病、糖尿病视网膜病变、皮肤感染、外周血管疾病、中风等。
• Design and Optimization of Tricyclic Phtalimide Analogues as Novel Inhibitors of HIV-1 Integrase
  作者：Wim G. Verschueren、Inge Dierynck、Katie I. E. Amssoms、Lili Hu、Paul M. J. G. Boonants、Geert M. E. Pille、Frits F. D. Daeyaert、Kurt Hertogs、Dominique L. N. G. Surleraux、Piet B. T. P. Wigerinck

  DOI：10.1021/jm049559q

  日期：2005.3.1

  Human immunodeficiency virus type-1 integrase is an essential enzyme for effective viral replication and hence a valid target for the design of inhibitors. We report here on the design and synthesis of a novel series of phthalimide analogues as integrase inhibitors. The short synthetic pathway enabled us to synthesize a series of analogues with a defined structure diversity. The presence of a single carbonyl-hydroxy-aromatic nitrogen motif was shown to be essential for the enzymatic activity and this was confirmed by molecular docking studies. The enzymatically most active compound from this series is 743,4-dichlorobenzyl)-5,9dihydroxypyrrolo[3,4-g]quinoxaline-6,8-dione (151) with an IC50 value of 112 nM on the HIV-1 integrase enzyme, while ((7-(4-chlorobenzyl)-5,9-dihydroxy-pyrrolo[3,4-g]quinoxaline-6,8-dione (15k)) showed an EC50 of 270 nM against HIV-1 in a cell-based assay.
• [EN] HIV INTEGRASE INHIBITORS<br/>[FR] INHIBITEURS D'INTEGRASE VIH
  申请人：TIBOTEC PHARM LTD

  公开号：WO2004096807A3

  公开（公告）日：2005-01-06

表征谱图