methyl 6-fluoro-3-methyl-2-oxo-1H-quinoline-4-carboxylate | 179473-50-8

• 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: methyl 6-fluoro-3-methyl-2-oxo-1H-quinoline-4-carboxylate
• CAS: 179473-50-8
• 化学式: C₁₂H₁₀FNO₃
• 分子量: 235.215
• InChiKey: LHIMERCRZDNCOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 6-fluoro-3-methyl-2-oxo-1H-quinoline-4-carboxylate 在 三溴氧磷 作用下， 生成 methyl 2-bromo-6-fluoro-3-methylquinoline-4-carboxylate
  参考文献：
  名称：

  Heteroatom- and carbon-linked biphenyl analogs of Brequinar as immunosuppressive agents

  摘要：

  Structure-activity relationships were explored for some analogs of Brequinar having a linking atom between the 2-biphenyl substituent and the quinoline ring. Activities as inhibitors of dihydroorotate dehydrogenase and the mixed lymphocyte reaction were related to the overall shape and lipophilicity of the 2-substituent. (C) 1998 The DuPont Merck Pharmaceutical Company. Published by Elsevier Science Ltd.All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00308-4
• 作为产物：
  描述：

  碘甲烷 、 6-氟-3-甲基-2-氧代-1H-喹啉-4-羧酸 在 potassium carbonate 作用下， 生成 methyl 6-fluoro-3-methyl-2-oxo-1H-quinoline-4-carboxylate
  参考文献：
  名称：

  Heteroatom- and carbon-linked biphenyl analogs of Brequinar as immunosuppressive agents

  摘要：

  Structure-activity relationships were explored for some analogs of Brequinar having a linking atom between the 2-biphenyl substituent and the quinoline ring. Activities as inhibitors of dihydroorotate dehydrogenase and the mixed lymphocyte reaction were related to the overall shape and lipophilicity of the 2-substituent. (C) 1998 The DuPont Merck Pharmaceutical Company. Published by Elsevier Science Ltd.All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00308-4

文献信息

• PHOSPHODIESTERASE INHIBITOR
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1541149A1

  公开（公告）日：2005-06-15

  [wherein n represents an integer of from 1 to 4, R1 represents substituted or unsubstituted lower alkyl, -C(=Y)R9 or the like, R2 represents a hydrogen atom, substituted or unsubstituted lower alkyl or the like, R3 represents substituted or unsubstituted lower alkyl, substituted or unsubstituted aryl, a substituted or unsubstituted heterocyclic group or the like, and R4 represents halogen or the like.] A phosphodiesterase 10A inhibitor which comprises a quinoline derivative represented by the above formula (I) or a pharmaceutically acceptable salt thereof as an active ingredient is provided.

  提供一种磷酸二酯酶10A抑制剂，其包括上述式（I）所代表的喹啉衍生物或其药用盐作为活性成分。其中n表示1到4之间的整数，R1代表取代或未取代的较低烷基，-C(=Y)R9或类似物，R2代表氢原子，取代或未取代的较低烷基或类似物，R3代表取代或未取代的较低烷基，取代或未取代的芳基，取代或未取代的杂环基团或类似物，R4代表卤素或类似物。
• US5523408A
  申请人：——

  公开号：US5523408A

  公开（公告）日：1996-06-04
• US5578609A
  申请人：——

  公开号：US5578609A

  公开（公告）日：1996-11-26
• [EN] 2-CARBOCYCLIC AND 2-HETEROCYCLIC QUINOLINE-4-CARBOXYLIC ACIDS AND SALTS THEREOF USEFUL AS IMMUNOSUPPRESSIVE AGENTS<br/>[FR] ACIDES QUINOLINE-4-CARBOXYLIQUES 2-CARBOCYCLIQUES ET 2-HETEROCYCLIQUES ET LEURS SELS, UTILISES COMME AGENTS IMMUNODEPRESSEURS
  申请人：THE DU PONT MERCK PHARMACEUTICAL COMPANY

  公开号：WO1997006144A1

  公开（公告）日：1997-02-20

  (EN) This invention relates to 2-carbocyclic and 2-heterocyclic quinoline-4-carboxylic acid compounds, and salts thereof, to pharmaceutical compositions comprising such compounds, and to methods of using such compounds for the treatment and/or prevention of organ transplantation rejection, graft versus host disease, and chronic inflammatory diseases, including but not limited to psoriasis and rheumatoid arthritis, in a mammal.(FR) L'invention concerne des composés d'acides quinoline-4-carboxyliques 2-carbocycliques et 2-hétérocycliques ainsi que leurs sels, des composés pharmaceutiques les contenant, et des procédés d'utilisation desdits composés pour le traitement et/ou la prévention chez un mammifère du rejet du greffon, de la réaction du greffon contre l'hôte et des maladies inflammatoires chroniques, telles que, entre autres, le psoriasis et la polyarthrite rhumatoïde.
• Heteroatom- and carbon-linked biphenyl analogs of Brequinar as immunosuppressive agents
  作者：Douglas G. Batt、Joseph J. Petraitis、Susan R. Sherk、Robert A. Copeland、Randine L. Dowling、Tracy L. Taylor、Elizabeth A. Jones、Ronald L. Magolda、Bruce D. Jaffee

  DOI：10.1016/s0960-894x(98)00308-4

  日期：1998.7

  Structure-activity relationships were explored for some analogs of Brequinar having a linking atom between the 2-biphenyl substituent and the quinoline ring. Activities as inhibitors of dihydroorotate dehydrogenase and the mixed lymphocyte reaction were related to the overall shape and lipophilicity of the 2-substituent. (C) 1998 The DuPont Merck Pharmaceutical Company. Published by Elsevier Science Ltd.All rights reserved.