1-hexyl-3-ethoxycarbonyl-4-hydroxy-2(1H)-quinolinone | 52851-59-9

• 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: 1-hexyl-3-ethoxycarbonyl-4-hydroxy-2(1H)-quinolinone
• 英文别名: ethyl 1-hexyl-1,2-dihydro-4-hydroxy-2-oxo-quinoline-3-carboxylate；ethyl 1-hexyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate；1-hexyl-2-oxo-4-hydroxyquinoline-3-carboxylic acid ethyl ester；N-hexyl-4-hydroxy-2-quinolinone-3-carboxylic acid ethyl ester；1-hexyl-3-ethoxycarbonyl-4-hydroxy-2(1H) quinolinone；Ethyl 1-hexyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxylate；ethyl 1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxylate
• CAS: 52851-59-9
• 化学式: C₁₈H₂₃NO₄
• 分子量: 317.385
• InChiKey: GCFJEMAEXQXJRC-UHFFFAOYSA-N

物化性质

• 沸点：
  438.9±45.0 °C(Predicted)
• 密度：
  1.185±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-hexyl-3-ethoxycarbonyl-4-hydroxy-2(1H)-quinolinone 生成 1-Hexyl-3-Formyl-4-Methoxy-6-Methyl-2(1H)-Quinolinone
  参考文献：
  名称：

  Ester and alkoxy substituted benzopyrans

  摘要：

  抗高血压药物和抗DNA病毒药物，如疱疹病毒等DNA含量病毒的化合物被披露。这些化合物由Formula 1.0代表：##STR1##及其药学上可接受的盐和溶剂。披露了含有由Formula 1.0代表的化合物的药物组合物。披露了使用由Formula 1.0代表的化合物治疗病毒感染的方法。还披露了使用Formula 1.0的化合物治疗高血压的方法，其中R选自H、卤素和--C(O)OR.sup.6的群；R.sup.1选自--OR.sup.14、--O(CH.sub.2).sub.a C(H).sub.3-i Z.sub.i和--O(CH.sub.2).sub.h N(R.sup.15).sub.2的群。

  公开号：

  US05412104A1
• 作为产物：
  描述：

  在 盐酸 作用下， 反应 1.0h， 以90%的产率得到1-hexyl-3-ethoxycarbonyl-4-hydroxy-2(1H)-quinolinone
  参考文献：
  名称：

  4-羟基-2-喹诺酮类。22. * 1-烷基（芳基）-2-氧代-3-羰乙氧基-4-羟基喹啉及其衍生物的合成及生物学性质

  摘要：

  DOI：

  10.1007/bf01169641

文献信息

• Acyl and alkoxy substituted quinolines
  申请人：Schering Corporation

  公开号：US05378694A1

  公开（公告）日：1995-01-03

  Compounds useful as antiviral agents against DNA-containing viruses, such as herpes group viruses, are disclosed. The compounds are are represented by compounds of Formula 1.0: ##STR1## and their pharmaceutically acceptable salts and solvates. Pharmaceutical compositions containing compounds represented by Formula 1.0 and methods of treating a viral infection using compounds represented by Formula 1.0 are disclosed. Also disclosed are compounds useful as antihypertensive agents and methods of treating hypertension using such compounds. The antihypertensive agents are compounds represented by Formula 1.0 wherein R.sup.4 is selected from the group consisting of alkyl and aminoalkyl. Preferably R.sup.1 is H.

  抗DNA病毒药物化合物，如单纯疱疹病毒等DNA含量病毒的抗病毒剂被披露。这些化合物由Formula 1.0表示。其中包括Formula 1.0代表的化合物及其药用可接受的盐和溶剂。披露了含有Formula 1.0代表的化合物的药物组合物以及使用Formula 1.0代表的化合物治疗病毒感染的方法。还披露了作为降压药物的化合物以及使用这些化合物治疗高血压的方法。降压药物是由Formula 1.0代表的化合物，其中R.sup.4从由烷基和氨基烷基组成的群体中选择。最好R.sup.1是H。
• Alkyl and acyl substituted quinolines
  申请人：Schering Corporation

  公开号：US05382572A1

  公开（公告）日：1995-01-17

  Compounds useful as antiviral agents against DNA-containing viruses, such as herpes group viruses, are disclosed. The compounds are represented by Formula 1.0: ##STR1## and their pharmaceutically acceptable salts and solvates; wherein: (A) X is selected from the group consisting of N--R.sup.3, O, S, and C(R.sup.3).sub.2 ; (B) R.sup.3 is selected from H and a range of substituents; (C) R.sup.1 is an etherifying or esterifying group; (D) R.sup.2 is selected from a range of substituents; (E) m is 0 or an integer from 1 to 4; and (F) R.sup.4 and R.sup.5 are the same and are selected from alkyl and acyl groups; together with the pharmaceutically acceptable salts of the compounds of Formula 1.0 that are acidic or basic. Pharmaceutical compositions containing compounds represented by Formula 1.0 are disclosed. Also disclosed are methods of treating a viral infection using compounds represented by Formula 1.0.

  抗DNA病毒药物化合物，如疱疹病毒群，被揭示。这些化合物由Formula 1.0表示：##STR1##及其药学上可接受的盐和溶剂；其中：（A）X选自N-R.sup.3，O，S和C(R.sup.3).sub.2组；（B）R.sup.3选自H和一系列取代基；（C）R.sup.1是醚化或酯化基团；（D）R.sup.2选自一系列取代基；（E）m为0或1至4之间的整数；（F）R.sup.4和R.sup.5相同，选自烷基和酰基；以及Formula 1.0化合物的酸性或碱性药学上可接受的盐。揭示了含有Formula 1.0化合物的药物组合物。还揭示了使用Formula 1.0化合物治疗病毒感染的方法。
• Quinolinone Derivatives
  申请人：Ruat Martial

  公开号：US20130267559A1

  公开（公告）日：2013-10-10

  The present invention relates to compounds which are quinolinone derivatives of general formula (I) capable of modulating the activity, in particular of inducing the differentiation, of stem and progenitor cells; these compounds are of use in the treatment of disorders related to a stem differentiation defect; the invention also relates to novel compounds among these quinolinone derivatives and to pharmaceutical compositions containing the same.

  本发明涉及一种通式(I)的喹啉酮衍生物化合物，能够调节干细胞和祖细胞的活性，特别是诱导其分化，这些化合物可用于治疗与干细胞分化缺陷有关的疾病；本发明还涉及这些喹啉酮衍生物中的新化合物以及含有它们的药物组合物。
• Use of quinolinone derivatives as a research tool
  申请人：Ruat Martial

  公开号：US08957091B2

  公开（公告）日：2015-02-17

  The present invention relates to the use of quinolinone derivatives of general formula (I), ligands of the Smo receptor or of related receptors which target a binding site of the receptor which is different from the known ligand binding sites, as research tools for identifying modulators of the Smo receptor or of related receptors, characterizing the Hedgehog signalling pathway and diagnosis; the invention also relates to kits containing said derivatives of general formula (I).

  本发明涉及使用通式（I）的喹啉酮衍生物，作为Smo受体或相关受体的配体，其靶向受体的结合位点不同于已知的配体结合位点，作为识别Smo受体或相关受体的调节剂的研究工具，表征Hedgehog信号通路和诊断的方法；本发明还涉及含有通式（I）的衍生物的试剂盒。
• 4-hydroxy-2-quinolones. 191.* synthesis, tautomerism and biological activity of benzimidazol-2-ylamides of 1-r-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylic acids
  作者：I. V. Ukrainets、L. A. Grinevich、A. A. Tkach、O. V. Gorokhova、V. N. Kravchenko、G. Sim

  DOI：10.1007/s10593-011-0673-8

  日期：2011.2

  A series of benzimidazol-2-ylamides of 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylic acids was prepared in a search for biologically active compounds. These compounds exist in the crystal exclusively in the amide form, while in solution amide↔imide tautomerism is observed. The results of a study of the antithyroid and antituberculosis activities of these compounds are given.

  为了寻找生物活性化合物，制备了一系列4-羟基-2-氧代-1,2-二氢喹啉-3-羧酸的苯并咪唑-2-基酰胺。这些化合物仅以酰胺形式存在于晶体中，而在溶液中则观察到酰胺↔酰亚胺互变异构现象。给出了这些化合物的抗甲状腺和抗结核活性的研究结果。