Almorexant (BioDeep_00000712768)

   


代谢物信息卡片


2(1H)-Isoquinolineacetamide,3,4-dihydro-6,7-dimethoxy-N-methyl-a-phenyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-, (aR,1S)-

化学式: C29H31F3N2O3 (512.2286652)
中文名称: 阿莫伦特
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CNC(=O)C(C1=CC=CC=C1)N2CCC3=CC(=C(C=C3C2CCC4=CC=C(C=C4)C(F)(F)F)OC)OC
InChI: InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)

描述信息

C78272 - Agent Affecting Nervous System > C29728 - Anorexiant

同义名列表

2 个代谢物同义名

Almorexant; 2(1H)-Isoquinolineacetamide,3,4-dihydro-6,7-dimethoxy-N-methyl-a-phenyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-, (aR,1S)-



数据库引用编号

9 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

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PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

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BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

0 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Carsten Theodor Beuckmann, Takashi Ueno, Makoto Nakagawa, Michiyuki Suzuki, Shigeru Akasofu. Preclinical in vivo characterization of lemborexant (E2006), a novel dual orexin receptor antagonist for sleep/wake regulation. Sleep. 2019 06; 42(6):. doi: 10.1093/sleep/zsz076. [PMID: 30923834]
  • Ariel Tarasiuk, Avishag Levi, Mohammad H Assadi, Ariel Troib, Yael Segev. Orexin Plays a Role in Growth Impediment Induced by Obstructive Sleep Breathing in Rats. Sleep. 2016 Apr; 39(4):887-97. doi: 10.5665/sleep.5648. [PMID: 26943473]
  • Winfried Wagner-Redeker, Isabel Finsterwald, Jasper Dingemanse. Validation of an LC-MS/MS method for the quantitative determination of the orexin receptor antagonist almorexant and its four primary metabolites in human plasma. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2014 Mar; 951-952(?):96-103. doi: 10.1016/j.jchromb.2014.01.033. [PMID: 24531213]
  • Aihua Li, Charles C T Hindmarch, Eugene E Nattie, Julian F R Paton. Antagonism of orexin receptors significantly lowers blood pressure in spontaneously hypertensive rats. The Journal of physiology. 2013 Sep; 591(17):4237-48. doi: 10.1113/jphysiol.2013.256271. [PMID: 23671161]
  • Jasper Dingemanse, Petra Hoever. Absence of pharmacokinetic and pharmacodynamic interactions between almorexant and warfarin in healthy subjects. Drugs in R&D. 2013 Jun; 13(2):145-51. doi: 10.1007/s40268-013-0017-5. [PMID: 23737453]
  • Jasper Dingemanse, Petra Hoever, Matthias Hoch, Alexander Treiber, Winfried Wagner-Redeker, Tommaso Miraval, Gérard Hopfgartner, Kasra Shakeri-Nejad. Elucidation of the metabolic pathways and the resulting multiple metabolites of almorexant, a dual orexin receptor antagonist, in humans. Drug metabolism and disposition: the biological fate of chemicals. 2013 May; 41(5):1046-59. doi: 10.1124/dmd.112.050120. [PMID: 23431113]
  • Matthias Hoch, Petra Hoever, Federica Alessi, Rudolf Theodor, Jasper Dingemanse. Pharmacokinetic interactions of almorexant with midazolam and simvastatin, two CYP3A4 model substrates, in healthy male subjects. European journal of clinical pharmacology. 2013 Mar; 69(3):523-32. doi: 10.1007/s00228-012-1403-6. [PMID: 22990330]
  • Gabrielle E Callander, Morenike Olorunda, Dominique Monna, Edi Schuepbach, Daniel Langenegger, Claudia Betschart, Samuel Hintermann, Dirk Behnke, Simona Cotesta, Markus Fendt, Grit Laue, Silvio Ofner, Emmanuelle Briard, Christine E Gee, Laura H Jacobson, Daniel Hoyer. Kinetic properties of "dual" orexin receptor antagonists at OX1R and OX2R orexin receptors. Frontiers in neuroscience. 2013; 7(?):230. doi: 10.3389/fnins.2013.00230. [PMID: 24376396]
  • Matthias Hoch, Petra Hoever, Federica Alessi, Joanne Marjason, Jasper Dingemanse. Pharmacokinetics and tolerability of almorexant in Japanese and Caucasian healthy male subjects. Pharmacology. 2011; 88(3-4):121-6. doi: 10.1159/000330098. [PMID: 21865769]
  • P Hoever, S de Haas, J Winkler, R C Schoemaker, E Chiossi, J van Gerven, J Dingemanse. Orexin receptor antagonism, a new sleep-promoting paradigm: an ascending single-dose study with almorexant. Clinical pharmacology and therapeutics. 2010 May; 87(5):593-600. doi: 10.1038/clpt.2010.19. [PMID: 20376002]
  • Pari Malherbe, Edilio Borroni, Emmanuel Pinard, Joseph G Wettstein, Frédéric Knoflach. Biochemical and electrophysiological characterization of almorexant, a dual orexin 1 receptor (OX1)/orexin 2 receptor (OX2) antagonist: comparison with selective OX1 and OX2 antagonists. Molecular pharmacology. 2009 Sep; 76(3):618-31. doi: 10.1124/mol.109.055152. [PMID: 19542319]