(E)-4-(4-(4-(2-Cyanovinyl)-2,6-dimethylphenylamino)pyrimidin-2-ylamino)benzonitrile (BioDeep_00000177743)

   

human metabolite blood metabolite


代谢物信息卡片


4-[(4-{[4-(2-cyanoeth-1-en-1-yl)-2,6-dimethylphenyl]amino}pyrimidin-2-yl)amino]benzonitrile

化学式: C22H18N6 (366.15928679999996)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1=CC(C=CC#N)=CC(C)=C1NC1=NC(NC2=CC=C(C=C2)C#N)=NC=C1
InChI: InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)

描述信息

同义名列表

2 个代谢物同义名

4-[(4-{[4-(2-cyanoeth-1-en-1-yl)-2,6-dimethylphenyl]amino}pyrimidin-2-yl)amino]benzonitrile; (E)-4-(4-(4-(2-Cyanovinyl)-2,6-dimethylphenylamino)pyrimidin-2-ylamino)benzonitrile



数据库引用编号

2 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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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)

1 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

  • Calvin J Cohen, Jean-Michel Molina, Pedro Cahn, Bonaventura Clotet, Jan Fourie, Beatriz Grinsztejn, Hao Wu, Margaret A Johnson, Michael Saag, Khuanchai Supparatpinyo, Herta Crauwels, Eric Lefebvre, Laurence T Rimsky, Simon Vanveggel, Peter Williams, Katia Boven. Efficacy and safety of rilpivirine (TMC278) versus efavirenz at 48 weeks in treatment-naive HIV-1-infected patients: pooled results from the phase 3 double-blind randomized ECHO and THRIVE Trials. Journal of acquired immune deficiency syndromes (1999). 2012 May; 60(1):33-42. doi: 10.1097/qai.0b013e31824d006e. [PMID: 22343174]
  • Raveen Parboosing, Glenn E M Maguire, Patrick Govender, Hendrik G Kruger. Nanotechnology and the treatment of HIV infection. Viruses. 2012 04; 4(4):488-520. doi: 10.3390/v4040488. [PMID: 22590683]
  • Mark Sanford. Rilpivirine. Drugs. 2012 Mar; 72(4):525-41. doi: 10.2165/11208590-000000000-00000. [PMID: 22356290]
  • Herta Crauwels, Johan Vingerhoets, Robert Ryan, James Witek, David Anderson. Pharmacokinetic parameters of once-daily rilpivirine following administration of efavirenz in healthy subjects. Antiviral therapy. 2012; 17(3):439-46. doi: 10.3851/imp1959. [PMID: 22293086]
  • Antonella Esposito, Marco Floridia, Gabriella d'Ettorre, Daniele Pastori, Alessandra Fantauzzi, Paola Massetti, Giancarlo Ceccarelli, Camilla Ajassa, Vincenzo Vullo, Ivano Mezzaroma. Rate and determinants of treatment response to different antiretroviral combination strategies in subjects presenting at HIV-1 diagnosis with advanced disease. BMC infectious diseases. 2011 Dec; 11(?):341. doi: 10.1186/1471-2334-11-341. [PMID: 22166160]
  • David L McCollum. Update of the past year: a review from IDSA 2011. Topics in antiviral medicine. 2011 Dec; 19(5):187-92. doi: NULL. [PMID: 22298888]
  • Jean-Michel Molina, Pedro Cahn, Beatriz Grinsztejn, Adriano Lazzarin, Anthony Mills, Michael Saag, Khuanchai Supparatpinyo, Sharon Walmsley, Herta Crauwels, Laurence T Rimsky, Simon Vanveggel, Katia Boven. Rilpivirine versus efavirenz with tenofovir and emtricitabine in treatment-naive adults infected with HIV-1 (ECHO): a phase 3 randomised double-blind active-controlled trial. Lancet (London, England). 2011 Jul; 378(9787):238-46. doi: 10.1016/s0140-6736(11)60936-7. [PMID: 21763936]
  • Calvin J Cohen, Jaime Andrade-Villanueva, Bonaventura Clotet, Jan Fourie, Margaret A Johnson, Kiat Ruxrungtham, Hao Wu, Carmen Zorrilla, Herta Crauwels, Laurence T Rimsky, Simon Vanveggel, Katia Boven. Rilpivirine versus efavirenz with two background nucleoside or nucleotide reverse transcriptase inhibitors in treatment-naive adults infected with HIV-1 (THRIVE): a phase 3, randomised, non-inferiority trial. Lancet (London, England). 2011 Jul; 378(9787):229-37. doi: 10.1016/s0140-6736(11)60983-5. [PMID: 21763935]
  • Michael Kovochich, Matthew D Marsden, Jerome A Zack. Activation of latent HIV using drug-loaded nanoparticles. PloS one. 2011 Apr; 6(4):e18270. doi: 10.1371/journal.pone.0018270. [PMID: 21483687]
  • Laura Else, Victoria Watson, John Tjia, Andrew Hughes, Marco Siccardi, Saye Khoo, David Back. Validation of a rapid and sensitive high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) assay for the simultaneous determination of existing and new antiretroviral compounds. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2010 Jun; 878(19):1455-65. doi: 10.1016/j.jchromb.2010.03.036. [PMID: 20427248]
  • Anton L Pozniak, Javier Morales-Ramirez, Elly Katabira, Dewald Steyn, Sergio H Lupo, Mario Santoscoy, Beatriz Grinsztejn, Kiat Ruxrungtham, Laurence T Rimsky, Simon Vanveggel, Katia Boven. Efficacy and safety of TMC278 in antiretroviral-naive HIV-1 patients: week 96 results of a phase IIb randomized trial. AIDS (London, England). 2010 Jan; 24(1):55-65. doi: 10.1097/qad.0b013e32833032ed. [PMID: 19926964]
  • Sara Melzi, Laura Carenzi, Maria Vittoria Cossu, Simone Passerini, Amedeo Capetti, Giuliano Rizzardini. Lipid Metabolism and Cardiovascular Risk in HIV-1 Infection and HAART: Present and Future Problems. Cholesterol. 2010; 2010(?):271504. doi: 10.1155/2010/271504. [PMID: 21490912]
  • Franco Maggiolo. Efavirenz: a decade of clinical experience in the treatment of HIV. The Journal of antimicrobial chemotherapy. 2009 Nov; 64(5):910-28. doi: 10.1093/jac/dkp334. [PMID: 19767318]
  • Lieven Baert, Gerben van 't Klooster, Willy Dries, Marc François, Alfons Wouters, Esther Basstanie, Koen Iterbeke, Fred Stappers, Paul Stevens, Laurent Schueller, Pieter Van Remoortere, Guenter Kraus, Piet Wigerinck, Jan Rosier. Development of a long-acting injectable formulation with nanoparticles of rilpivirine (TMC278) for HIV treatment. European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V. 2009 Aug; 72(3):502-8. doi: 10.1016/j.ejpb.2009.03.006. [PMID: 19328850]
  • Keikawus Arastéh, Armin Rieger, Patrick Yeni, Anton Pozniak, Griet Boogaerts, Rolf van Heeswijk, Marie-Pierre de Béthune, Monika Peeters, Brian Woodfall. Short-term randomized proof-of-principle trial of TMC278 in patients with HIV type-1 who have previously failed antiretroviral therapy. Antiviral therapy. 2009; 14(5):713-22. doi: NULL. [PMID: 19704175]
  • Frank Goebel, Alexy Yakovlev, Anton L Pozniak, Elena Vinogradova, Griet Boogaerts, Richard Hoetelmans, Marie-Pierre P de Béthune, Monika Peeters, Brian Woodfall. Short-term antiviral activity of TMC278--a novel NNRTI--in treatment-naive HIV-1-infected subjects. AIDS (London, England). 2006 Aug; 20(13):1721-6. doi: 10.1097/01.aids.0000242818.65215.bd. [PMID: 16931936]