6-(4-methyl-piperazin-1-yl)-N-phenethyl-nicotinamide | 199478-31-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 6-(4-methyl-piperazin-1-yl)-N-phenethyl-nicotinamide
• 英文别名: 6-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
• CAS: 199478-31-4
• 化学式: C₁₉H₂₄N₄O
• 分子量: 324.426
• InChiKey: YIVKKLGBRJFQPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  48.5
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• TAAR1 LIGANDS
  申请人：Galley Guido

  公开号：US20090036452A1

  公开（公告）日：2009-02-05

  The invention relates to a compound of formula wherein R 1 , R 2 , X, L, W, n, and o are defined herein and to pharmaceutically suitable acid addition salts thereof, with the exception of the following compounds 6-(4-methyl-piperazin-1-yl)-N-phenethyl-nicotinamide (CAS 199478-31-4), N-(3,4-dichloro-benzyl)-3-fluoro-benzamide (CAS 424815-98-5), N-(4-chloro-benzyl)-3-fluoro-benzamide (CAS 544661-83-8), N-(3-chloro-benzyl)-3-fluoro-benzamide (CAS 796051-07-5), and N-phenethyl-6-phenylamino-nicotinamide (CAS 571913-74-1). The compounds of formula I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1 and are useful for the treatment of CNS disorders.

  本发明涉及一种具有以下结构的化合物，其中R1、R2、X、L、W、n和o在此处定义，并且具有药学上适当的酸盐，但不包括以下化合物：6-(4-甲基哌嗪-1-基)-N-苯乙基烟酰胺（CAS 199478-31-4）、N-(3,4-二氯苄基)-3-氟苯酰胺（CAS 424815-98-5）、N-(4-氯苄基)-3-氟苯酰胺（CAS 544661-83-8）、N-(3-氯苄基)-3-氟苯酰胺（CAS 796051-07-5）和N-苯乙基-6-苯胺基烟酰胺（CAS 571913-74-1）。式I的化合物对痕量胺相关受体（TAARs）具有良好的亲和力，特别是对TAAR1，可用于治疗中枢神经系统疾病。
• PYRIDINECARBOXAMIDE AND BENZAMIDE DERIVATIVES AS TAAR1 LIGANDS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2185502A1

  公开（公告）日：2010-05-19
• ＴＡＡＲ１リガンドとしてのピリジンカルボキシアミド及びベンズアミド誘導体
  申请人：エフ.ホフマン−ラ ロシュ アーゲー

  公开号：JP5341084B2

  公开（公告）日：2010-11-18
• US8008305B2
  申请人：——

  公开号：US8008305B2

  公开（公告）日：2011-08-30
• [EN] PYRIDINECARBOXAMIDE AND BENZAMIDE DERIVATIVES AS TAAR1 LIGANDS<br/>[FR] DÉRIVÉS DE PYRIDINECARBOXAMIDE ET DE BENZAMIDE SERVANT DE LIGANDS DE TAAR1
  申请人：HOFFMANN LA ROCHE

  公开号：WO2009019149A1

  公开（公告）日：2009-02-12

  The invention relates to a compound of formula (I) wherein R1, R2, W, L, X, n and o are defined herein. It has been found that the compounds of formula I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1. The compounds may be used for the treatment of depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders.