MRE-269 (BioDeep_00000391670)

   

PANOMIX_OTCML-2023


代谢物信息卡片


[4-[(5,6-diphenylpyrazinyl)(1-methylethyl)amino]butoxy]-acetic acid

化学式: C25H29N3O3 (419.22088040000006)
中文名称: 赛乐西帕中间体
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 6.78%

分子结构信息

SMILES: CC(C)N(CCCCOCC(=O)O)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)

描述信息

MRE-269 is an active metabolite of selexipag, and acts as a selective IP receptor agonist.

同义名列表

4 个代谢物同义名

(4-((5,6-Diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acetic acid; MRE-269; [4-[(5,6-diphenylpyrazinyl)(1-methylethyl)amino]butoxy]-acetic acid; ACT-333679



数据库引用编号

7 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)

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

  • Saili Xie, Lu Shi, Jingjing Chen, Ren-Ai Xu, Xuemei Ye. Simultaneous quantification and pharmacokinetic investigation of selexipag and its main metabolite ACT-333679 in rat plasma by UPLC-MS/MS method. Journal of pharmaceutical and biomedical analysis. 2020 Oct; 190(?):113496. doi: 10.1016/j.jpba.2020.113496. [PMID: 32768890]
  • Carmela Gnerre, Jérôme Segrestaa, Swen Seeland, Päivi Äänismaa, Thomas Pfeifer, Stephane Delahaye, Ruben de Kanter, Tomohiko Ichikawa, Tetsuhiro Yamada, Alexander Treiber. The metabolism and drug-drug interaction potential of the selective prostacyclin receptor agonist selexipag. Xenobiotica; the fate of foreign compounds in biological systems. 2018 Jul; 48(7):704-719. doi: 10.1080/00498254.2017.1357088. [PMID: 28737453]
  • Margaux Boehler, Shirin Bruderer, Ivan Ulč, Jasper Dingemanse. Biocomparison Study of Adult and Paediatric Dose Strengths of the Prostacyclin Receptor Agonist Selexipag. European journal of drug metabolism and pharmacokinetics. 2018 Feb; 43(1):115-120. doi: 10.1007/s13318-017-0424-z. [PMID: 28639216]
  • Shirin Bruderer, Marc Petersen-Sylla, Margaux Boehler, Tatiana Remeňová, Atef Halabi, Jasper Dingemanse. Effect of gemfibrozil and rifampicin on the pharmacokinetics of selexipag and its active metabolite in healthy subjects. British journal of clinical pharmacology. 2017 12; 83(12):2778-2788. doi: 10.1111/bcp.13379. [PMID: 28715853]
  • Priska Kaufmann, Hans G Cruz, Andreas Krause, Ivan Ulč, Atef Halabi, Jasper Dingemanse. Pharmacokinetics of the novel oral prostacyclin receptor agonist selexipag in subjects with hepatic or renal impairment. British journal of clinical pharmacology. 2016 08; 82(2):369-79. doi: 10.1111/bcp.12963. [PMID: 27062188]
  • Sri N Batchu, Syamantak Majumder, Bridgit B Bowskill, Kathryn E White, Suzanne L Advani, Angela S Brijmohan, Youan Liu, Kerri Thai, Paymon M Azizi, Warren L Lee, Andrew Advani. Prostaglandin I2 Receptor Agonism Preserves β-Cell Function and Attenuates Albuminuria Through Nephrin-Dependent Mechanisms. Diabetes. 2016 05; 65(5):1398-409. doi: 10.2337/db15-0783. [PMID: 26868296]
  • Ferdous Khan, Pinky Karim Syeda, Michael Nii N Nartey, Mohammad Shahidur Rahman, Mohammad Safiqul Islam, Kohji Nishimura, Mitsuo Jisaka, Fumiaki Shono, Kazushige Yokota. Pretreatment of cultured preadipocytes with arachidonic acid during the differentiation phase without a cAMP-elevating agent enhances fat storage after the maturation phase. Prostaglandins & other lipid mediators. 2016 03; 123(?):16-27. doi: 10.1016/j.prostaglandins.2016.02.003. [PMID: 26928048]
  • Priska Kaufmann, Séverine Niglis, Shirin Bruderer, Jérôme Segrestaa, Päivi Äänismaa, Atef Halabi, Jasper Dingemanse. Effect of lopinavir/ritonavir on the pharmacokinetics of selexipag an oral prostacyclin receptor agonist and its active metabolite in healthy subjects. British journal of clinical pharmacology. 2015 Oct; 80(4):670-7. doi: 10.1111/bcp.12650. [PMID: 25851691]
  • Tetsuo Asaki, Keiichi Kuwano, Keith Morrison, John Gatfield, Taisuke Hamamoto, Martine Clozel. Selexipag: An Oral and Selective IP Prostacyclin Receptor Agonist for the Treatment of Pulmonary Arterial Hypertension. Journal of medicinal chemistry. 2015 Sep; 58(18):7128-37. doi: 10.1021/acs.jmedchem.5b00698. [PMID: 26291199]
  • Priska Kaufmann, Kaori Okubo, Shirin Bruderer, Tim Mant, Tetsuhiro Yamada, Jasper Dingemanse, Hideya Mukai. Pharmacokinetics and Tolerability of the Novel Oral Prostacyclin IP Receptor Agonist Selexipag. American journal of cardiovascular drugs : drugs, devices, and other interventions. 2015 Jun; 15(3):195-203. doi: 10.1007/s40256-015-0117-4. [PMID: 25850750]
  • Shirin Bruderer, Noémie Hurst, Priska Kaufmann, Jasper Dingemanse. Multiple-dose up-titration study to evaluate the safety, tolerability, pharmacokinetics, and pharmacodynamics of selexipag, an orally available selective prostacyclin receptor agonist, in healthy subjects. Pharmacology. 2014; 94(3-4):148-56. doi: 10.1159/000367630. [PMID: 25277144]
  • Chabha Benyahia, Kamel Boukais, Ingrid Gomez, Adam Silverstein, Lucie Clapp, Aurélie Fabre, Claire Danel, Guy Leséche, Dan Longrois, Xavier Norel. A comparative study of PGI2 mimetics used clinically on the vasorelaxation of human pulmonary arteries and veins, role of the DP-receptor. Prostaglandins & other lipid mediators. 2013 Dec; 107(?):48-55. doi: 10.1016/j.prostaglandins.2013.07.001. [PMID: 23850788]
  • N N Orie, A Ledwozyw, D J Williams, B J Whittle, L H Clapp. Differential actions of the prostacyclin analogues treprostinil and iloprost and the selexipag metabolite, MRE-269 (ACT-333679) in rat small pulmonary arteries and veins. Prostaglandins & other lipid mediators. 2013 Oct; 106(?):1-7. doi: 10.1016/j.prostaglandins.2013.07.003. [PMID: 23872196]
  • Akio Nakamura, Tetsuhiro Yamada, Tetsuo Asaki. Synthesis and evaluation of N-acylsulfonamide and N-acylsulfonylurea prodrugs of a prostacyclin receptor agonist. Bioorganic & medicinal chemistry. 2007 Dec; 15(24):7720-5. doi: 10.1016/j.bmc.2007.08.052. [PMID: 17881233]
  • Keiichi Kuwano, Asami Hashino, Tetsuo Asaki, Taisuke Hamamoto, Tetsuhiro Yamada, Kaori Okubo, Kenji Kuwabara. 2-[4-[(5,6-diphenylpyrazin-2-yl)(isopropyl)amino]butoxy]-N-(methylsulfonyl)acetamide (NS-304), an orally available and long-acting prostacyclin receptor agonist prodrug. The Journal of pharmacology and experimental therapeutics. 2007 Sep; 322(3):1181-8. doi: 10.1124/jpet.107.124248. [PMID: 17545310]