3-methyl-2-[2]thienyl-quinoline-4-carboxylic acid

• 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: 3-methyl-2-[2]thienyl-quinoline-4-carboxylic acid
• 英文别名: 3-Methyl-2-[2]thienyl-chinolin-4-carbonsaeure；3-methyl-2-(2-thienyl)-4-quinolinecarboxylic acid；3-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid
• 化学式: C₁₅H₁₁NO₂S
• mdl: MFCD01922037
• 分子量: 269.324
• InChiKey: QYCXQPXWFXQECL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.066
• 拓扑面积：
  78.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Quinoline derivatives as nk-2 and nk-3 receptor antagonists
  申请人：Kerns K Jeffrey

  公开号：US20060135771A1

  公开（公告）日：2006-06-22

  Compounds of the formula (I) are disclosed which are NK2 and NK3 receptor antagonists and are useful in the treatment of respiratory diseases: or a pharmaceutically acceptable salt thereof.

  公开了化合物(I)的公式，它们是NK2和NK3受体拮抗剂，可用于治疗呼吸系统疾病：或其药学上可接受的盐。
• Compounds Having Activity at Nk3 Receptor and Uses Thereof in Medicine
  申请人：Smith Paul William

  公开号：US20080261945A1

  公开（公告）日：2008-10-23

  The present invention relates to compounds of formula (I), a pharmaceutically acceptable salt, solvate or prodrug thereof: wherein R 1 is phenyl optionally substituted by 1, 2 or 3 halogen atoms which halogen atoms may be the same or different; R 2 is C 1-6 alkyl, C 3-6 cycloalkyl or acetyl; X is oxygen or sulphur; a is 1, 2 or 3; b is 0 or 1; c is 0, 1 or 2; R 3 is hydrogen or C 1-6 alkyl; R 4 is hydrogen, C 1-6 alkyl, haloC 1-6 alkyl, C 1-4 alkoxyC 1-6 alkyl, C 3-6 cycloalkyl or C 3-6 cycloalkylC 1-6 alkyl; R 5 is hydrogen; or R 5 and R 3 , together with the interconnecting atoms, form a 4, 5 or 6 membered ring; R 6 is phenyl or thienyl, either of which is optionally substituted by 1, 2 or 3 halogen atoms, which atoms may be the same or different; and z is 0, 1 or 2; wherein when z is 1 or 2, Z is a halogen atom, and wherein when z is 2 the halogen atoms may be the same or different. Also disclosed are processes for their preparation, pharmaceutical compositions containing them and their use as medicaments particularly in treating disorders of the Central Nervous System (CNS).

  本发明涉及公式(I)的化合物，其可接受的药物盐、溶剂化物或前药：其中，R1是苯基，可选地被1、2或3个卤素原子取代，所述卤素原子可以相同或不同；R2是C1-6烷基、C3-6环烷基或乙酰基；X是氧或硫；a为1、2或3；b为0或1；c为0、1或2；R3是氢或C1-6烷基；R4是氢、C1-6烷基、卤代C1-6烷基、C1-4烷氧基C1-6烷基、C3-6环烷基或C3-6环烷基C1-6烷基；R5是氢；或R5和R3与相互连接的原子一起形成4、5或6元环；R6是苯基或噻吩基，其中任一种均可选择性地被1、2或3个卤素原子取代，所述原子可以相同或不同；z为0、1或2；当z为1或2时，Z为卤素原子，当z为2时，所述卤素原子可以相同或不同。还公开了它们的制备方法、含有它们的药物组合物以及它们作为药物的用途，特别是用于治疗中枢神经系统(CNS)疾病。
• 4-Carboxamido quinoline derivatives for use as nk-2 and nk-3
  申请人：Kerns K. Jeffrey

  公开号：US20070060593A1

  公开（公告）日：2007-03-15

  Compounds of the formula (I) are disclosed which are NK2 and NK3 receptor antagonists and are useful in the treatment of respiratory diseases: or a pharmaceutically acceptable salt thereof.

  公开了式(I)的化合物，它们是NK2和NK3受体拮抗剂，可用于治疗呼吸系统疾病：或其药学上可接受的盐。
• QUINOLINE DERIVATIVES AS NK-2 AND NK-3 RECEPTOR ANTAGONISTS
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1601360A2

  公开（公告）日：2005-12-07
• COMPOUNDS HAVING ACTIVITY AT NK3 RECEPTOR AND USES THEREOF IN MEDICINE
  申请人：SmithKline Beecham Corporation

  公开号：EP1809606A1

  公开（公告）日：2007-07-25