N-((3-(1-(2-(2-methylquinolin-5-yloxy)ethyl)piperidin-4-ylmethyl)phenyl)-2-dimethylamino)acetamide | 586411-70-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N-((3-(1-(2-(2-methylquinolin-5-yloxy)ethyl)piperidin-4-ylmethyl)phenyl)-2-dimethylamino)acetamide
• 英文别名: 2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
• CAS: 586411-70-3
• 化学式: C₂₈H₃₆N₄O₂
• 分子量: 460.619
• InChiKey: KFSJURQYNCYVKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  57.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-[[1-[2-(2-Methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]aniline;hydrochloride 、 二甲基氨基氯化氢 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以56%的产率得到N-((3-(1-(2-(2-methylquinolin-5-yloxy)ethyl)piperidin-4-ylmethyl)phenyl)-2-dimethylamino)acetamide
  参考文献：
  名称：

  Discovery of Potent, Orally Bioavailable, Selective 5-HT_1A/B/D Receptor Antagonists

  摘要：

  5-HT1 receptor antagonists have been discovered with good selectivity over the 5-HT transporter. This is the first report of highly potent, selective ligands for the 5-HT1A/B/D receptors with low intrinsic activity, which represent a useful set of molecules for further understanding the roles of the 5-HT1 receptor subtypes and providing new approaches,for the treatment of depression.

  DOI：

  10.1021/jm8001444

文献信息

• Compound possessing affinity at 5ht1-type receptors and use thereof in therapy of cns disorders
  申请人：Smith W Paul

  公开号：US20050107410A1

  公开（公告）日：2005-05-19

  Compounds of formula (I) and pharmaceutically acceptable salts thereof are disclosed: wherein: A is optionally substituted phenyl, naphthyl, indolyl, quinolinyl, quinazolinyl, indazolyl, isoquinolinyl or benzofuranyl; X is carbon, Y is CH and is a double bond; or X is CH, Y is CH 2 or oxygen and is a single bond; or X is nitrogen, Y is CH 2 and is a single bond; is halogen, hydroxy, cyano, C 1-6 alkyl, haloC 1-6 alkyl or C 1-6 alkoxy; a is 0, 1, 2, 3 or 4; R2 and R3, together with the nitrogen atom to which they are attached, form a nitro group or an optionally substituted 3 to 7 membered heterocyclic group, or R2 and R3 are independently hydrogen, aroyl, C 1-6 alkyl, C 1-6 alkanoyl, fluoroC 1-6 alkanoyl, C 1-6 alkylsulfonyl, fluoroC 1-6 alkylsulfonyl, carbamoyl, C 1-6 alkylcarbamoyl, arylC 1-6 alkyl or a group CO(CH 2 )bNR4R5 wherein b is 1, 2, 3 or 4; and R4 and R5 are independently hydrogen or C 1-6 alkyl, or R4 and R5, together with the nitrogen atom to they are attached, form part of an optionally substituted 3 to 7 membered heterocyclic group. Methods of preparing the compounds and uses of the compounds in therapy, in particular for CNS disorders such as depression and anxiety, are also disclosed.

  公开了式（I）的化合物及其药学上可接受的盐：其中，A是可选取的取代苯基、萘基、吲哚基、喹啉基、喹唑啉基、吲唑基、异喹啉基或苯并呋喃基；X是碳，Y是CH且为双键；或X是CH，Y是CH2或氧且为单键；或X是氮，Y是 且为单键；R1是卤素、羟基、氰基、C1-6烷基、卤代C1-6烷基或C1-6烷氧基；a是0、1、2、3或4；R2和R3与它们所连接的氮原子一起形成硝基基团或可选取的取代的3到7元杂环基团，或R2和R3分别是氢、芳香基、C1-6烷基、C1-6酰基、氟代C1-6酰基、C1-6烷基磺酰基、氟代C1-6烷基磺酰基、氨基、C1-6烷基氨基、芳基C1-6烷基或CO( )bNR4R5基团，其中b是1、2、3或4；R4和R5分别是氢或C1-6烷基，或R4和R5与它们所连接的氮原子一起形成可选取的取代的3到7元杂环基团。还公开了制备该化合物的方法以及该化合物在治疗中的用途，特别是在中枢神经系统疾病如抑郁症和焦虑症方面的用途。
• COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1480972B1

  公开（公告）日：2007-04-11