(4,6-Dimethylpyrimidin-5-yl)-[4-[4-[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone (BioDeep_00000183384)

   

human metabolite blood metabolite


代谢物信息卡片


(4,6-Dimethylpyrimidin-5-yl)-[4-[4-[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone

化学式: C28H38F3N5O2 (533.2977444)
中文名称:
谱图信息: 最多检出来源 Homo sapiens(blood) 28.73%

分子结构信息

SMILES: CC1CN(CCN1CCC2=C(C=C(C=C2)C(F)(F)F)OC)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C
InChI: InChI=1S/C28H38F3N5O2/c1-19-17-36(15-14-34(19)11-8-22-6-7-23(28(29,30)31)16-24(22)38-5)27(4)9-12-35(13-10-27)26(37)25-20(2)32-18-33-21(25)3/h6-7,16,18-19H,8-15,17H2,1-5H3

描述信息

同义名列表

2 个代谢物同义名

(4,6-Dimethylpyrimidin-5-yl)-[4-[4-[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone; 5-[4-(4-{2-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl}-3-methylpiperazin-1-yl)-4-methylpiperidine-1-carbonyl]-4,6-dimethylpyrimidine



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)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

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

  • Adam M Knepp, Amy Grunbeck, Sourabh Banerjee, Thomas P Sakmar, Thomas Huber. Direct measurement of thermal stability of expressed CCR5 and stabilization by small molecule ligands. Biochemistry. 2011 Feb; 50(4):502-11. doi: 10.1021/bi101059w. [PMID: 21155586]
  • Claudia Kasserra, Angela Sansone-Parsons, Anther Keung, Ernestina Tetteh, Mahmoud Assaf, Edward O'Mara, Thomas Marbury. Renal insufficiency has no effect on the pharmacokinetics of vicriviroc in a ritonavir-containing regimen. Clinical pharmacokinetics. 2010 Jun; 49(6):397-406. doi: 10.2165/11319470-000000000-00000. [PMID: 20481650]
  • Keith W Crawford, Chonghua Li, Anther Keung, Zhaohui Su, Michael D Hughes, Wayne Greaves, Daniel Kuritzkes, Roy Gulick, Charles Flexner. Pharmacokinetic/pharmacodynamic modeling of the antiretroviral activity of the CCR5 antagonist Vicriviroc in treatment experienced HIV-infected subjects (ACTG protocol 5211). Journal of acquired immune deficiency syndromes (1999). 2010 Apr; 53(5):598-605. doi: 10.1097/qai.0b013e3181c9caac. [PMID: 20071999]
  • Gerd Fätkenheuer, Christian Hoffmann, Jihad Slim, Régine Rouzier, Anther Keung, Jing Li, Michelle Treitel, Angela Sansone-Parsons, Claudia Kasserra, Edward O'Mara, Dirk Schürmann. Short-term administration of the CCR5 antagonist vicriviroc to patients with HIV and HCV coinfection is safe and tolerable. Journal of acquired immune deficiency syndromes (1999). 2010 Jan; 53(1):78-85. doi: 10.1097/qai.0b013e3181bb28dc. [PMID: 19838130]
  • Athe M N Tsibris, Roger Paredes, Amy Chadburn, Zhaohui Su, Timothy J Henrich, Amy Krambrink, Michael D Hughes, Judith A Aberg, Judith S Currier, Karen Tashima, Catherine Godfrey, Wayne Greaves, Charles Flexner, Paul R Skolnik, Timothy J Wilkin, Roy M Gulick, Daniel R Kuritzkes. Lymphoma diagnosis and plasma Epstein-Barr virus load during vicriviroc therapy: results of the AIDS Clinical Trials Group A5211. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America. 2009 Mar; 48(5):642-9. doi: 10.1086/597007. [PMID: 19191652]
  • X de la Tribonnière, Y Yazdanpanah, J Reynes. [CCR5 antagonists: a new class of antiretrovirals]. Medecine et maladies infectieuses. 2008 Mar; 38 Suppl 1(?):S1-6. doi: 10.1016/s0399-077x(08)70537-7. [PMID: 18455055]
  • U Fritz Bredeek, Michael J Harbour. CCR5 antagonists in the treatment of treatment-naive patients infected with CCR5 tropic HIV-1. European journal of medical research. 2007 Oct; 12(9):427-34. doi: . [PMID: 17933724]
  • Roy M Gulick, Zhaohui Su, Charles Flexner, Michael D Hughes, Paul R Skolnik, Timothy J Wilkin, Robert Gross, Amy Krambrink, Eoin Coakley, Wayne L Greaves, Andrew Zolopa, Richard Reichman, Catherine Godfrey, Martin Hirsch, Daniel R Kuritzkes. Phase 2 study of the safety and efficacy of vicriviroc, a CCR5 inhibitor, in HIV-1-Infected, treatment-experienced patients: AIDS clinical trials group 5211. The Journal of infectious diseases. 2007 Jul; 196(2):304-12. doi: 10.1086/518797. [PMID: 17570119]