1-benzyl-3-ethoxycarbonyl-4-hydroxy-6-methyl-2(1H)-quinolinone | 141750-03-0

• 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-benzyl-3-ethoxycarbonyl-4-hydroxy-6-methyl-2(1H)-quinolinone
• 英文别名: 1-Benzyl-3-Carbethoxy-4-Hydroxy-6-Methyl-2(1H)-Quinolinone；ethyl 4-hydroxy-6-methyl-2-oxo-1-(phenylmethyl)-1,2-dihydro-3-quinolinecarboxylate；1-benzyl-4-hydroxy-6-methyl-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid ethyl ester；ethyl 1-benzyl-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylate
• CAS: 141750-03-0
• 化学式: C₂₀H₁₉NO₄
• 分子量: 337.375
• InChiKey: SALBMSZSICSIMO-UHFFFAOYSA-N

物化性质

• 沸点：
  505.8±50.0 °C(Predicted)
• 密度：
  1.303±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 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-benzyl-3-ethoxycarbonyl-4-hydroxy-6-methyl-2(1H)-quinolinone 在 三氯氧磷 作用下， 反应 3.0h， 以46%的产率得到1-benzyl-4-chloro-6-methyl-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES

  摘要：

  治疗各种疾病，包括与肿瘤坏死因子α相关的病理条件的治疗。肿瘤坏死因子α的抑制剂具有以下结构：包括立体异构体、药用可接受的盐和溶剂，其中取代基如本文所定义。还提供了含有肿瘤坏死因子α抑制剂与药用可接受载体结合的组合物，以及使用方法。

  公开号：

  US20080139551A1
• 作为产物：
  描述：

  6-甲基靛红酸酐 在 sodium hydride 作用下， 以 异丁酰胺 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.5h， 生成 1-benzyl-3-ethoxycarbonyl-4-hydroxy-6-methyl-2(1H)-quinolinone
  参考文献：
  名称：

  TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES

  摘要：

  治疗各种疾病，包括与肿瘤坏死因子α相关的病理条件的治疗。肿瘤坏死因子α的抑制剂具有以下结构：包括立体异构体、药用可接受的盐和溶剂，其中取代基如本文所定义。还提供了含有肿瘤坏死因子α抑制剂与药用可接受载体结合的组合物，以及使用方法。

  公开号：

  US20080139551A1

文献信息

• Ester and alkoxy substituted benzopyrans
  申请人：Schering Corporation

  公开号：US05412104A1

  公开（公告）日：1995-05-02

  Compounds useful as antihypertensive agents and 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. Pharmaceutical compositions containing compounds represented by Formula 1.0 are disclosed. Methods of treating a viral infection using compounds represented by Formula 1.0 are disclosed. Also disclosed are methods of treating hypertension using compounds of Formula 1.0 wherein R is selected from the group consisting of H, halogen and --C(O)OR.sup.6 ; and R.sup.1 is selected from the group consisting of --OR.sup.14, --O(CH.sub.2).sub.a C(H).sub.3-i Z.sub.i and --O(CH.sub.2).sub.h N(R.sup.15).sub.2.

  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。
• 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.

  本发明揭示了一种用作抗DNA病毒剂的化合物，如单纯疱疹病毒组，该化合物由公式1.0表示：##STR1##及其药学上可接受的盐和溶剂；其中：（A）X选自由N-R.sup.3，O，S和C（R.sup.3）.sub.2组成的群体；（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的整数；（F）R.sup.4和R.sup.5相同，选自烷基和酰基基团；以及公式1.0的化合物的药学上可接受的酸性或碱性盐。本发明还揭示了含有公式1.0所表示的化合物的制药组合物。同时还揭示了使用公式1.0所表示的化合物治疗病毒感染的方法。
• Inhibitors of macrophage migration inhibitory factor and methods for identifying the same
  申请人：——

  公开号：US20040204586A1

  公开（公告）日：2004-10-14

  Inhibitors of MIF are provided which have utility in the treatment of a variety of disorders, including the treatment of pathological conditions associated with MIF activity. The inhibitors of MIF have the following structures: 1 including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein n, R 1 , R 2 , R 3 , R 4 , X, and Z are as defined herein. Compositions containing an inhibitor of MIF in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  提供了MIF的抑制剂，可用于治疗多种疾病，包括与MIF活性相关的病理条件的治疗。MIF的抑制剂具有以下结构：包括立体异构体，前药和其药学上可接受的盐，其中n，R1，R2，R3，R4，X和Z的定义如本文所述。还提供了含有MIF抑制剂与药学上可接受的载体组合的组合物，以及使用它们的方法。
• INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME
  申请人：Sircar Jagadish

  公开号：US20070238736A9

  公开（公告）日：2007-10-11

  Inhibitors of MIF are provided which have utility in the treatment of a variety of disorders, including the treatment of pathological conditions associated with MIF activity. The inhibitors of MIF have the following structures: including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein n, R 1 , R 2 , R 3 , R 4 , X, and Z are as defined herein. Compositions containing an inhibitor of MIF in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  提供了抑制MIF的抑制剂，其在治疗多种疾病方面具有用途，包括治疗与MIF活性相关的病理条件。 MIF的抑制剂具有以下结构：包括立体异构体，前药和其药学上可接受的盐，其中n，R1，R2，R3，R4，X和Z的定义如本文所述。还提供了含有MIF抑制剂和药学上可接受的载体组合的组合物，以及使用它们的方法。
• [EN] INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME<br/>[FR] INHIBITEURS DU FACTEUR D'INHIBITION DE LA MIGRATION DES MACROPHAGES(MIF) ET PROCEDES D'IDENTIFICATION DE CEUX-CI
  申请人：AVANIR PHARMACEUTICALS

  公开号：WO2004074218A3

  公开（公告）日：2005-01-20