N-[6-(2,3-Difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (BioDeep_00000183475)

   

human metabolite blood metabolite


代谢物信息卡片


N-[6-(2,3-Difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-{2-hydroxy-1H-imidazo[4,5-b]pyridin-1-yl}piperidine-1-carboximidate

化学式: C26H27F5N6O3 (566.2064692)
中文名称:
谱图信息: 最多检出来源 Homo sapiens(blood) 93.75%

分子结构信息

SMILES: C1CC(C(=O)N(CC1C2=C(C(=CC=C2)F)F)CC(F)(F)F)NC(=O)N3CCC(CC3)N4C5=C(NC4=O)N=CC=C5
InChI: InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)

描述信息

同义名列表

4 个代谢物同义名

N-[6-(2,3-Difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-{2-hydroxy-1H-imidazo[4,5-b]pyridin-1-yl}piperidine-1-carboximidate; N-[6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-{2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl}piperidine-1-carboxamide; N-[6-(2,3-Difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide; telcagepant



数据库引用编号

3 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

  • Anna-Clara E Spetz Holm, Jessica Frisk, Mats L Hammar. Acupuncture as treatment of hot flashes and the possible role of calcitonin gene-related Peptide. Evidence-based complementary and alternative medicine : eCAM. 2012; 2012(?):579321. doi: 10.1155/2012/579321. [PMID: 22110545]
  • Tae H Han, Rebecca L Blanchard, John Palcza, Jacqueline B McCrea, Tine Laethem, Kenneth Willson, Yang Xu, Susan Ermlich, Janet Boyle, Christopher Lines, Maria Gutierrez, Luc Van Bortel, Alan J Xiao, Simon Sinclair, Lisa Hickey, Deborah Panebianco, M Gail Murphy. Single- and multiple-dose pharmacokinetics and tolerability of telcagepant, an oral calcitonin gene-related peptide receptor antagonist, in adults. Journal of clinical pharmacology. 2010 Dec; 50(12):1367-76. doi: 10.1177/0091270010361741. [PMID: 20173082]
  • Simon R Sinclair, Stefanie A Kane, Bart J Van der Schueren, Alan Xiao, Kenneth J Willson, Janet Boyle, Inge de Lepeleire, Yang Xu, Lisa Hickey, William S Denney, Chi-Chung Li, John Palcza, Floris H M Vanmolkot, Marleen Depré, Anne Van Hecken, M Gail Murphy, Tony W Ho, Jay N de Hoon. Inhibition of capsaicin-induced increase in dermal blood flow by the oral CGRP receptor antagonist, telcagepant (MK-0974). British journal of clinical pharmacology. 2010 Jan; 69(1):15-22. doi: 10.1111/j.1365-2125.2009.03543.x. [PMID: 20078608]
  • Caroline Schelstraete, Koen Paemeleire. CGRP antagonists: hope for a new era in acute migraine treatment. Acta neurologica Belgica. 2009 Dec; 109(4):252-61. doi: NULL. [PMID: 20120204]
  • Yang Xu, Kenneth J Willson, Melanie D G Anderson, Donald G Musson, Cynthia M Miller-Stein, Eric J Woolf. Elimination of diastereomer interference to determine Telcagepant (MK-0974) in human plasma using on-line turbulent-flow technology and off-line solid-phase extraction coupled with liquid chromatography/tandem mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2009 Jun; 877(16-17):1634-42. doi: 10.1016/j.jchromb.2009.04.006. [PMID: 19398218]
  • Lihong Du, Cynthia M Miller-Stein, Robert J Valesky, Ashley N Martucci, Eric J Woolf. A flexible and high throughput liquid chromatography-tandem mass spectrometric assay for the quantitation of telcagepant in human plasma. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2009 May; 877(14-15):1465-71. doi: 10.1016/j.jchromb.2009.03.019. [PMID: 19346171]
  • Karen Nieber. [CGRP antagonists: novel concept for treatment of migraine]. Medizinische Monatsschrift fur Pharmazeuten. 2009 May; 32(5):182-5. doi: NULL. [PMID: 19469188]
  • S Roller, D Cui, C Laspina, C Miller-Stein, J Rowe, B Wong, T Prueksaritanont. Preclinical pharmacokinetics of MK-0974, an orally active calcitonin-gene related peptide (CGRP)-receptor antagonist, mechanism of dose dependency and species differences. Xenobiotica; the fate of foreign compounds in biological systems. 2009 Jan; 39(1):33-45. doi: 10.1080/00498250802546861. [PMID: 19219746]
  • Yang Xu, Donald G Musson. Reversed-phase chiral liquid chromatography on polysaccharide-based stationary phase coupled with tandem mass spectrometry for simultaneous determination of four stereoisomers of MK-0974 in human plasma. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2008 Oct; 873(2):195-202. doi: 10.1016/j.jchromb.2008.08.019. [PMID: 18799366]
  • Yang Xu, Kenneth J Willson, Donald G Musson. Strategies on efficient method development of on-line extraction assays for determination of MK-0974 in human plasma and urine using turbulent-flow chromatography and tandem mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2008 Feb; 863(1):64-73. doi: 10.1016/j.jchromb.2007.12.017. [PMID: 18255359]
  • Christopher A Salvatore, James C Hershey, Halea A Corcoran, John F Fay, Victor K Johnston, Eric L Moore, Scott D Mosser, Christopher S Burgey, Daniel V Paone, Anthony W Shaw, Samuel L Graham, Joseph P Vacca, Theresa M Williams, Kenneth S Koblan, Stefanie A Kane. Pharmacological characterization of MK-0974 [N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide], a potent and orally active calcitonin gene-related peptide receptor antagonist for the treatment of migraine. The Journal of pharmacology and experimental therapeutics. 2008 Feb; 324(2):416-21. doi: 10.1124/jpet.107.130344. [PMID: 18039958]
  • Daniel V Paone, Anthony W Shaw, Diem N Nguyen, Christopher S Burgey, James Z Deng, Stefanie A Kane, Kenneth S Koblan, Christopher A Salvatore, Scott D Mosser, Victor K Johnston, Bradley K Wong, Cynthia M Miller-Stein, James C Hershey, Samuel L Graham, Joseph P Vacca, Theresa M Williams. Potent, orally bioavailable calcitonin gene-related peptide receptor antagonists for the treatment of migraine: discovery of N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1- (2,2,2-trifluoroethyl)azepan-3-yl]-4- (2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin- 1-yl)piperidine-1-carboxamide (MK-0974). Journal of medicinal chemistry. 2007 Nov; 50(23):5564-7. doi: 10.1021/jm070668p. [PMID: 17929795]