N-desmethyl loperamide (BioDeep_00000016978)

   

Volatile Flavor Compounds


代谢物信息卡片


N-desmethyl loperamide

化学式: C28H31ClN2O2 (462.2073936)
中文名称: N-去甲基洛哌丁胺
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CNC(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)

描述信息

同义名列表

2 个代谢物同义名

N-desmethyl loperamide; N-desmethyl loperamide



数据库引用编号

6 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(5)

BioCyc(0)

PlantCyc(0)

代谢反应

60 个相关的代谢反应过程信息。

Reactome(60)

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

  • Flavia Storelli, Olena Anoshchenko, Jashvant D Unadkat. Successful Prediction of Human Steady-State Unbound Brain-to-Plasma Concentration Ratio of P-gp Substrates Using the Proteomics-Informed Relative Expression Factor Approach. Clinical pharmacology and therapeutics. 2021 08; 110(2):432-442. doi: 10.1002/cpt.2227. [PMID: 33675056]
  • Roy J Vaz, Jiesheng Kang, Yongyi Luo, David Rampe. Molecular determinants of loperamide and N-desmethyl loperamide binding in the hERG cardiac K+ channel. Bioorganic & medicinal chemistry letters. 2018 02; 28(3):446-451. doi: 10.1016/j.bmcl.2017.12.020. [PMID: 29274816]
  • Annelaure Damont, Sébastien Goutal, Sylvain Auvity, Héric Valette, Bertrand Kuhnast, Wadad Saba, Nicolas Tournier. Imaging the impact of cyclosporin A and dipyridamole on P-glycoprotein (ABCB1) function at the blood-brain barrier: A [(11)C]-N-desmethyl-loperamide PET study in nonhuman primates. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences. 2016 Aug; 91(?):98-104. doi: 10.1016/j.ejps.2016.06.005. [PMID: 27283486]
  • Thomas Wanek, Kerstin Römermann, Severin Mairinger, Johann Stanek, Michael Sauberer, Thomas Filip, Alexander Traxl, Claudia Kuntner, Jens Pahnke, Florian Bauer, Thomas Erker, Wolfgang Löscher, Markus Müller, Oliver Langer. Factors Governing P-Glycoprotein-Mediated Drug-Drug Interactions at the Blood-Brain Barrier Measured with Positron Emission Tomography. Molecular pharmaceutics. 2015 Sep; 12(9):3214-25. doi: 10.1021/acs.molpharmaceut.5b00168. [PMID: 26202880]
  • William C Kreisl, Ritwik Bhatia, Cheryl L Morse, Alicia E Woock, Sami S Zoghbi, H Umesha Shetty, Victor W Pike, Robert B Innis. Increased permeability-glycoprotein inhibition at the human blood-brain barrier can be safely achieved by performing PET during peak plasma concentrations of tariquidar. Journal of nuclear medicine : official publication, Society of Nuclear Medicine. 2015 Jan; 56(1):82-7. doi: 10.2967/jnumed.114.146894. [PMID: 25500831]
  • Michael D Farwell, Derek J Chong, Yasuhiko Iida, Sung A Bae, Balu Easwaramoorthy, Masanori Ichise. Imaging P-glycoprotein function in rats using [(11)C]-N-desmethyl-loperamide. Annals of nuclear medicine. 2013 Aug; 27(7):618-24. doi: 10.1007/s12149-013-0725-5. [PMID: 23572210]
  • Hiroshi Sugimoto, Hideki Hirabayashi, Nobuyuki Amano, Toshiya Moriwaki. Retrospective analysis of P-glycoprotein-mediated drug-drug interactions at the blood-brain barrier in humans. Drug metabolism and disposition: the biological fate of chemicals. 2013 Apr; 41(4):683-8. doi: 10.1124/dmd.112.049577. [PMID: 23340958]
  • Lieselotte Moerman, Leonie Wyffels, Dominique Slaets, Robrecht Raedt, Paul Boon, Filip De Vos. Antiepileptic drugs modulate P-glycoproteins in the brain: a mice study with (11)C-desmethylloperamide. Epilepsy research. 2011 Mar; 94(1-2):18-25. doi: 10.1016/j.eplepsyres.2010.12.013. [PMID: 21277169]
  • Nicholas Seneca, Sami S Zoghbi, Jeih-San Liow, William Kreisl, Peter Herscovitch, Kimberly Jenko, Robert L Gladding, Andrew Taku, Victor W Pike, Robert B Innis. Human brain imaging and radiation dosimetry of 11C-N-desmethyl-loperamide, a PET radiotracer to measure the function of P-glycoprotein. Journal of nuclear medicine : official publication, Society of Nuclear Medicine. 2009 May; 50(5):807-13. doi: 10.2967/jnumed.108.058453. [PMID: 19372478]
  • Mikko Niemi, Aleksi Tornio, Marja K Pasanen, Hanna Fredrikson, Pertti J Neuvonen, Janne T Backman. Itraconazole, gemfibrozil and their combination markedly raise the plasma concentrations of loperamide. European journal of clinical pharmacology. 2006 Jun; 62(6):463-72. doi: 10.1007/s00228-006-0133-z. [PMID: 16758263]
  • Jason Sklerov, Barry Levine, Karla A Moore, Carol Allan, David Fowler. Tissue distribution of loperamide and N-desmethylloperamide following a fatal overdose. Journal of analytical toxicology. 2005 Oct; 29(7):750-4. doi: 10.1093/jat/29.7.750. [PMID: 16419413]
  • H He, A Sadeque, J C Erve, A J Wood, D L Hachey. Quantitation of loperamide and N-demethyl-loperamide in human plasma using electrospray ionization with selected reaction ion monitoring liquid chromatography-mass spectrometry. Journal of chromatography. B, Biomedical sciences and applications. 2000 Jul; 744(2):323-31. doi: 10.1016/s0378-4347(00)00253-x. [PMID: 10993521]