CP-122721 (BioDeep_00000412972)

   


代谢物信息卡片


(2S,3S)-1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-piperidin-3-amine

化学式: C20H23F3N2O2 (380.1712)
中文名称: (2s-顺式)-n-[[2-甲氧基-5-(三氟甲氧基)苯基]甲基]-2-苯基-3-哌啶胺
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: COC1=C(C=C(C=C1)OC(F)(F)F)CNC2CCCNC2C3=CC=CC=C3
InChI: InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1

描述信息

CONFIDENCE standard compound; INTERNAL_ID 443; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8208; ORIGINAL_PRECURSOR_SCAN_NO 8206
CONFIDENCE standard compound; INTERNAL_ID 443; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8220; ORIGINAL_PRECURSOR_SCAN_NO 8218
CONFIDENCE standard compound; INTERNAL_ID 443; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8261; ORIGINAL_PRECURSOR_SCAN_NO 8260
CONFIDENCE standard compound; INTERNAL_ID 443; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8255; ORIGINAL_PRECURSOR_SCAN_NO 8254
CONFIDENCE standard compound; INTERNAL_ID 443; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8236; ORIGINAL_PRECURSOR_SCAN_NO 8233
CONFIDENCE standard compound; INTERNAL_ID 443; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8236; ORIGINAL_PRECURSOR_SCAN_NO 8233; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7
CONFIDENCE standard compound; INTERNAL_ID 443; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8260; ORIGINAL_PRECURSOR_SCAN_NO 8259

同义名列表

3 个代谢物同义名

(2S,3S)-1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-piperidin-3-amine; (2S,3S)-N-(2-Methoxy-5-(trifluoromethoxy)benzyl)-2-phenylpiperidin-3-amine; CP-122721



数据库引用编号

11 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。

亚细胞结构定位 关联基因列表


文献列表

  • Snjezana Lelas, Yu-Wen Li, Tanya L Wallace-Boone, Matthew T Taber, Amy E Newton, Rick L Pieschl, Carl D Davis, Thaddeus F Molski, Kimberly S Newberry, Michael F Parker, Kevin W Gillman, Joanne J Bronson, John E Macor, Nicholas J Lodge. NK1 receptor antagonism lowers occupancy requirement for antidepressant-like effects of SSRIs in the gerbil forced swim test. Neuropharmacology. 2013 Oct; 73(?):232-40. doi: 10.1016/j.neuropharm.2013.05.038. [PMID: 23770339]
  • Kevin Colizza, Mohamed Awad, Amin Kamel. Metabolism, pharmacokinetics, and excretion of the substance P receptor antagonist CP-122,721 in humans: structural characterization of the novel major circulating metabolite 5-trifluoromethoxy salicylic acid by high-performance liquid chromatography-tandem mass spectrometry and NMR spectroscopy. Drug metabolism and disposition: the biological fate of chemicals. 2007 Jun; 35(6):884-97. doi: 10.1124/dmd.106.014266. [PMID: 17360832]
  • A Kamel, Y Du, K Colizza, C Prakash. Metabolism and excretion of CP-122,721, a non-peptide antagonist of the neurokinin NK1 receptor, in dogs: identification of the novel cleaved product 5-trifluoromethoxy salicylic acid in plasma. Xenobiotica; the fate of foreign compounds in biological systems. 2007 May; 37(5):559-78. doi: 10.1080/00498250701278434. [PMID: 17523057]
  • A Kamel, J Davis, M J Potchoiba, C Prakash. Metabolism, pharmacokinetics and excretion of a potent tachykinin NK1 receptor antagonist (CP-122,721) in rat: characterization of a novel oxidative pathway. Xenobiotica; the fate of foreign compounds in biological systems. 2006 Feb; 36(2-3):235-58. doi: 10.1080/00498250600594444. [PMID: 16702114]
  • B J Smith, A C Doran, S McLean, F D Tingley, B T O'Neill, S M Kajiji. P-glycoprotein efflux at the blood-brain barrier mediates differences in brain disposition and pharmacodynamics between two structurally related neurokinin-1 receptor antagonists. The Journal of pharmacology and experimental therapeutics. 2001 Sep; 298(3):1252-9. doi: NULL. [PMID: 11504828]
  • A Kamel, C Prakash. Determination of the substance P receptor antagonist CP-122,721 in plasma by narrow-bore high-performance liquid chromatography-ionspray tandem mass spectrometry. Journal of chromatography. B, Biomedical sciences and applications. 1997 Oct; 700(1-2):139-46. doi: 10.1016/s0378-4347(97)00315-0. [PMID: 9390723]
  • S McLean, A Ganong, P A Seymour, D K Bryce, R T Crawford, J Morrone, L S Reynolds, A W Schmidt, S Zorn, J Watson, A Fossa, M DePasquale, T Rosen, A Nagahisa, M Tsuchiya, J Heym. Characterization of CP-122,721; a nonpeptide antagonist of the neurokinin NK1 receptor. The Journal of pharmacology and experimental therapeutics. 1996 May; 277(2):900-8. doi: . [PMID: 8627572]