N-((R)-1-(4-(2,4-二甲氧基苄基)-5-苯乙基-4H-1,2,4-三唑-3-基)-2-(1H-吲哚-3-基)乙基)苯甲酰胺 | 1009813-29-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-((R)-1-(4-(2,4-二甲氧基苄基)-5-苯乙基-4H-1,2,4-三唑-3-基)-2-(1H-吲哚-3-基)乙基)苯甲酰胺
• 英文名称: N-((R)-1-(4-(2,4-dimethoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)benzamide
• 英文别名: N-[(1R)-1-[4-[(2,4-dimethoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]benzamide
• CAS: 1009813-29-9
• 化学式: C₃₆H₃₅N₅O₃
• 分子量: 585.706
• InChiKey: LBVFTXXZXIUMCK-JGCGQSQUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  44
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  94.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (1R)-1-[4-[(2,4-dimethoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine 、 苯甲酸 在 N-甲基吗啉 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 N-((R)-1-(4-(2,4-二甲氧基苄基)-5-苯乙基-4H-1,2,4-三唑-3-基)-2-(1H-吲哚-3-基)乙基)苯甲酰胺
  参考文献：
  名称：

  New Trisubstituted 1,2,4-Triazole Derivatives as Potent Ghrelin Receptor Antagonists. 3. Synthesis and Pharmacological in Vitro and in Vivo Evaluations

  摘要：

  Ghrelin receptor ligands based on trisubstituted 1,2,4-triazole structure were synthesized and evaluated for their in vitro binding and biological activity. In this study, we explored the replacement of the alpha-aminoisobutyryl moiety by aromatic or heteroaromatic groups. Compounds 5 and 34 acted as potent in vivo antagonists of hexarelin-stimulated food intake. These two compounds did not stimulate growth hormone secretion in rodents and did not antagonize growth hormone secretion induced by hexarelin.

  DOI：

  10.1021/jm701292s

文献信息

• SUBSTITUTED TETRAHYDRONAPHTHALENES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS
  申请人：Schwink Lothar

  公开号：US20120015936A1

  公开（公告）日：2012-01-19

  The invention relates to substituted tetrahydronaphthalenes, to derivatives thereof, to physiologically acceptable salts thereof, to physiologically functional derivatives, to the production thereof, to drugs containing at least one substituted tetrahydronaphthalene according to the invention or derivative thereof, and to the use of the substituted tetrahydronaphthalenes according to the invention and to derivatives thereof as MCH antagonists.

  本发明涉及替代四氢萘的化合物，其衍生物，其生理上可接受的盐，生理功能衍生物，其生产，含有根据本发明至少一种替代四氢萘或其衍生物的药物，以及根据本发明的替代四氢萘及其衍生物作为MCH拮抗剂的用途。
• NOVEL 1,2,4-TRIAZOLE DERIVATIVES AND PROCESS OF MANUFACTURING THEREOF
  申请人：Fehrentz Jean-Alain

  公开号：US20090239877A1

  公开（公告）日：2009-09-24

  The invention provides 1,2,4-triazole compounds, compositions containing those compounds, methods of treating diseases and/or disorders with those compounds and processes of manufacturing 1,2,4-triazole compounds.

  本发明提供了1,2,4-三唑化合物、含有该化合物的组合物、使用该化合物治疗疾病和/或障碍的方法以及制造1,2,4-三唑化合物的过程。
• Novel 1,2,4-triazole derivatives and process of manufacturing thereof
  申请人：Æterna Zentaris GmbH

  公开号：EP2103602A1

  公开（公告）日：2009-09-23

  The invention discloses a process of manufacturing 1,2,4-triazole derivatives comprising steps (a) to (e). The invention further discloses novel 1,2,4-triazoie derivatives and their use as medicaments.

  本发明公开了一种制造 1,2,4-三唑衍生物的工艺，包括步骤(a)至(e)。本发明进一步公开了新型 1,2,4-三唑衍生物及其作为药物的用途。
• 1,2,4-Triazole derivatives as ghrelin analogue ligands of GHS receptors
  申请人：Æterna Zentaris GmbH

  公开号：EP2604594A1

  公开（公告）日：2013-06-19

  The invention discloses novel 1,2,4-triazole derivatives and their use as medicaments.

  本发明公开了新型 1，2，4-三唑衍生物及其作为药物的用途。
• [EN] NOVEL 1,2,4-TRIAZOLE DERIVATIVES AND PROCESS OF MANUFACTURING THEREOF<br/>[FR] NOUVEAUX DÉRIVÉS DE 1,2,4-TRIAZOLE ET LEUR PROCÉDÉ DE FABRICATION
  申请人：AETERNA ZENTARIS GMBH

  公开号：WO2009115503A1

  公开（公告）日：2009-09-24

  The invention discloses a process of manufacturing 1,2,4-triazole derivatives comprising steps (a) to (e). The invention further discloses novel 1,2,4-triazole derivatives and their use as medicaments.