3-(4-Methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (BioDeep_00000178486)

   

human metabolite blood metabolite


代谢物信息卡片


3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-(pentan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

化学式: C21H28N4O (352.2263)
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: CCC(CC)NC1=CC(=NC2=C(C(=NN12)C)C3=C(C=C(C=C3)OC)C)C
InChI: InChI=1S/C21H28N4O/c1-7-16(8-2)23-19-12-14(4)22-21-20(15(5)24-25(19)21)18-10-9-17(26-6)11-13(18)3/h9-12,16,23H,7-8H2,1-6H3

描述信息

同义名列表

4 个代谢物同义名

3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-(pentan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine; 3-(4-Methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine; 4-(3-Pentylamino)-2,7-dimethyl-8-(2-methyl-4-methoxyphenyl)pyrazolo(1,5-a)pyrimidine; 4-(3-Pentylamino)-DMMPP



数据库引用编号

5 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。

亚细胞结构定位 关联基因列表


文献列表

  • Clare J Wilhelm, Aaron Murphy-Crews, Daniel J Menasco, Marilyn S Huckans, Jennifer M Loftis. Corticotropin releasing factor-1 receptor antagonism alters the biochemical, but not behavioral effects of repeated interleukin-1β administration. Neuropharmacology. 2012 Jan; 62(1):313-21. doi: 10.1016/j.neuropharm.2011.07.040. [PMID: 21839099]
  • S D Katugampola, R Fish, C Wood, K Young, C Da Costa Mathews. Automated blood sampling to identify pharmacodynamics biomarkers of corticotrophin releasing factor receptor 1 antagonism. Journal of pharmacological and toxicological methods. 2011 Sep; 64(2):158-63. doi: 10.1016/j.vascn.2011.06.002. [PMID: 21745582]
  • James R Damewood, Charles L Lerman, Brian B Masek. NovoFLAP: A ligand-based de novo design approach for the generation of medicinally relevant ideas. Journal of chemical information and modeling. 2010 Jul; 50(7):1296-303. doi: 10.1021/ci100080r. [PMID: 20586434]
  • Nelly Aranibar, Vasanthi Bhaskaran, Karl-Heinz Ott, Jeff Vassallo, David Nelson, Lloyd Lecureux, Lei Gong, Steve Stryker, Lois Lehman-McKeeman. Modulation of ascorbic acid metabolism by cytochrome P450 induction revealed by metabonomics and transcriptional profiling. Magnetic resonance in chemistry : MRC. 2009 Dec; 47 Suppl 1(?):S12-9. doi: 10.1002/mrc.2503. [PMID: 19768707]
  • Lloyd Lecureux, Matthew Z Dieter, David M Nelson, Linda Watson, Harvey Wong, Brian Gemzik, Curtis D Klaassen, Lois D Lehman-McKeeman. Hepatobiliary disposition of thyroid hormone in Mrp2-deficient TR- rats: reduced biliary excretion of thyroxine glucuronide does not prevent xenobiotic-induced hypothyroidism. Toxicological sciences : an official journal of the Society of Toxicology. 2009 Apr; 108(2):482-91. doi: 10.1093/toxsci/kfp026. [PMID: 19211616]
  • Harvey Wong, Lois D Lehman-McKeeman, Mary F Grubb, Scott J Grossman, Vasanthi M Bhaskaran, Eric G Solon, Helen S L Shen, Ronald J Gerson, Bruce D Car, Bitao Zhao, Brian Gemzik. Increased hepatobiliary clearance of unconjugated thyroxine determines DMP 904-induced alterations in thyroid hormone homeostasis in rats. Toxicological sciences : an official journal of the Society of Toxicology. 2005 Apr; 84(2):232-42. doi: 10.1093/toxsci/kfi094. [PMID: 15673846]
  • Yu-Wen Li, Lawrence Fitzgerald, Harvey Wong, Snjezana Lelas, Ge Zhang, Mark D Lindner, Tanya Wallace, John McElroy, Nicholas J Lodge, Paul Gilligan, Robert Zaczek. The pharmacology of DMP696 and DMP904, non-peptidergic CRF1 receptor antagonists. CNS drug reviews. 2005; 11(1):21-52. doi: 10.1111/j.1527-3458.2005.tb00034.x. [PMID: 15867951]
  • Snjezana Lelas, Harvey Wong, Yu-Wen Li, Karen L Heman, Kathryn A Ward, Kim L Zeller, Kristine K Sieracki, Joseph L Polino, Helen E Godonis, Shelly X Ren, Xiao-Xin Yan, Stephen P Arneric, David W Robertson, Paul R Hartig, Scott Grossman, George L Trainor, Rebecca A Taub, Robert Zaczek, Paul J Gilligan, John F McElroy. Anxiolytic-like effects of the corticotropin-releasing factor1 (CRF1) antagonist DMP904 [4-(3-pentylamino)-2,7-dimethyl-8-(2-methyl-4-methoxyphenyl)-pyrazolo-[1,5-a]-pyrimidine] administered acutely or chronically at doses occupying central CRF1 receptors in rats. The Journal of pharmacology and experimental therapeutics. 2004 Apr; 309(1):293-302. doi: 10.1124/jpet.103.058784. [PMID: 14742750]
  • P J Gilligan, C Baldauf, A Cocuzza, D Chidester, R Zaczek, L W Fitzgerald, J McElroy, M A Smith, H S Shen, J A Saye, D Christ, G Trainor, D W Robertson, P Hartig. The discovery of 4-(3-pentylamino)-2,7-dimethyl-8-(2-methyl-4-methoxyphenyl)-pyrazolo-[1 ,5-a]-pyrimidine: a corticotropin-releasing factor (hCRF1) antagonist. Bioorganic & medicinal chemistry. 2000 Jan; 8(1):181-9. doi: 10.1016/s0968-0896(99)00271-0. [PMID: 10968277]