Methyl 6-fluoro-3-methyl-2-(4-phenyl-1-indolinyl)quinoline-4-carboxylate | 179473-54-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Methyl 6-fluoro-3-methyl-2-(4-phenyl-1-indolinyl)quinoline-4-carboxylate
• 英文别名: methyl 6-fluoro-3-methyl-2-(4-phenyl-2,3-dihydroindol-1-yl)quinoline-4-carboxylate
• CAS: 179473-54-2
• 化学式: C₂₆H₂₁FN₂O₂
• 分子量: 412.463
• InChiKey: XFUGWZZQZBCMIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 6-fluoro-3-methyl-2-(4-phenyl-1-indolinyl)quinoline-4-carboxylate 在 钯 、 环己烯 作用下， 以 乙醇 为溶剂， 生成
  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：

  6-氟-3-甲基-2-氧代-1H-喹啉-4-羧酸 在 potassium carbonate 、 三溴氧磷 作用下， 以 乙醇 为溶剂， 生成 Methyl 6-fluoro-3-methyl-2-(4-phenyl-1-indolinyl)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

• 2-carbocyclic and 2-heterocyclic quinoline-4-carboxylic acids and salts
  申请人：The Dupont Merck Pharmaceutical Company

  公开号：US05523408A1

  公开（公告）日：1996-06-04

  This invention relates to 2-carbocyclic and 2-heterocyclic quinoline-4-carbocyclic 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.

  本发明涉及2-环烷基和2-杂环基喹啉-4-环烷基酸化合物及其盐，包括含有这些化合物的药物组合物，以及使用这些化合物治疗和/或预防器官移植排斥、移植物抗宿主病和慢性炎症性疾病的方法，包括但不限于牛皮癣和类风湿性关节炎，在哺乳动物中。
• 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.