4-Bromo-2,5-dimethoxyphenethylamine (BioDeep_00000408390)

   

natural product


代谢物信息卡片


4-Bromo-2,5-dimethoxyphenethylamine

化学式: C10H14BrNO2 (259.0207844)
中文名称: 4-溴-2,5二甲氧基苯乙胺
谱图信息: 最多检出来源 Escherichia coli(natural_products) 66.67%

分子结构信息

SMILES: COC1=CC(=C(C=C1CCN)OC)Br
InChI: InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3

描述信息

D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists

同义名列表

2 个代谢物同义名

4-Bromo-2,5-dimethoxyphenethylamine; 2,5-dimethoxy-4-bromophenethylamine



数据库引用编号

8 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

  • Johanna J Nugteren-van Lonkhuyzen, Dylan W de Lange, Antoinette J H P van Riel, Ruben Q Vrolijk, Dana Ohana, Laura Hondebrink. The Clinical Toxicology of 4-Bromo-2,5-dimethoxyphenethylamine (2C-B): The Severity of Poisoning After Exposure to Low to Moderate and High Doses. Annals of emergency medicine. 2020 09; 76(3):303-317. doi: 10.1016/j.annemergmed.2020.04.022. [PMID: 32507489]
  • Anna Šuláková, Lucie Fojtíková, Barbora Holubová, Kateřina Bártová, Oldřich Lapčík, Martin Kuchař. Two immunoassays for the detection of 2C-B and related hallucinogenic phenethylamines. Journal of pharmacological and toxicological methods. 2019 Jan; 95(?):36-46. doi: 10.1016/j.vascn.2018.11.001. [PMID: 30481558]
  • Anne Zwartsen, Anouk H A Verboven, Regina G D M van Kleef, Fiona M J Wijnolts, Remco H S Westerink, Laura Hondebrink. Measuring inhibition of monoamine reuptake transporters by new psychoactive substances (NPS) in real-time using a high-throughput, fluorescence-based assay. Toxicology in vitro : an international journal published in association with BIBRA. 2017 Dec; 45(Pt 1):60-71. doi: 10.1016/j.tiv.2017.05.010. [PMID: 28506818]
  • Michelle Williams, Jennifer Martin, Peter Galettis. A Validated Method for the Detection of 32 Bath Salts in Oral Fluid. Journal of analytical toxicology. 2017 Oct; 41(8):659-669. doi: 10.1093/jat/bkx055. [PMID: 28985394]
  • Tatsuyuki Kanamori, Tadashi Yamamuro, Kenji Kuwayama, Kenji Tsujikawa, Yuko T Iwata, Hiroyuki Inoue. Synthesis and Analysis of Glucuronic Acid-Conjugated Metabolites of 4-Bromo-2,5-Dimethoxyphenethylamine. Journal of forensic sciences. 2017 Mar; 62(2):488-492. doi: 10.1111/1556-4029.13266. [PMID: 27874182]
  • Samuel J Stellpflug, Samantha E Kealey, Cullen B Hegarty, Gregory C Janis. 2-(4-Iodo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine (25I-NBOMe): clinical case with unique confirmatory testing. Journal of medical toxicology : official journal of the American College of Medical Toxicology. 2014 Mar; 10(1):45-50. doi: 10.1007/s13181-013-0314-y. [PMID: 23872917]
  • Tatsuyuki Kanamori, Kyoko Nagasawa, Kenji Kuwayama, Kenji Tsujikawa, Yuko T Iwata, Hiroyuki Inoue. Analysis of 4-bromo-2,5-dimethoxyphenethylamine abuser's urine: identification and quantitation of urinary metabolites. Journal of forensic sciences. 2013 Jan; 58(1):279-87. doi: 10.1111/j.1556-4029.2012.02289.x. [PMID: 23066942]
  • Sarah Kerrigan, Stephanie Banuelos, Laura Perrella, Brittany Hardy. Simultaneous detection of ten psychedelic phenethylamines in urine by gas chromatography-mass spectrometry. Journal of analytical toxicology. 2011 Sep; 35(7):459-69. doi: 10.1093/anatox/35.7.459. [PMID: 21871155]
  • Sarah Kerrigan, Monica Brady Mellon, Stephanie Banuelos, Crystal Arndt. Evaluation of commercial enzyme-linked immunosorbent assays to identify psychedelic phenethylamines. Journal of analytical toxicology. 2011 Sep; 35(7):444-51. doi: 10.1093/anatox/35.7.444. [PMID: 21871153]
  • Simona Pichini, Mitona Pujadas, Emilia Marchei, Manuela Pellegrini, Jimena Fiz, Roberta Pacifici, Piergiorgio Zuccaro, Magi Farré, Rafael de la Torre. Liquid chromatography-atmospheric pressure ionization electrospray mass spectrometry determination of 'hallucinogenic designer drugs' in urine of consumers. Journal of pharmaceutical and biomedical analysis. 2008 Jun; 47(2):335-42. doi: 10.1016/j.jpba.2007.12.039. [PMID: 18262381]
  • Miroslava Rohanová, Tomás Pálenícek, Marie Balíková. Disposition of 4-bromo-2,5-dimethoxyphenethylamine (2C-B) and its metabolite 4-bromo-2-hydroxy-5-methoxyphenethylamine in rats after subcutaneous administration. Toxicology letters. 2008 Apr; 178(1):29-36. doi: 10.1016/j.toxlet.2008.01.017. [PMID: 18339493]
  • T Montgomery, C Buon, S Eibauer, P J Guiry, A K Keenan, G J McBean. Comparative potencies of 3,4-methylenedioxymethamphetamine (MDMA) analogues as inhibitors of [3H]noradrenaline and [3H]5-HT transport in mammalian cell lines. British journal of pharmacology. 2007 Dec; 152(7):1121-30. doi: 10.1038/sj.bjp.0707473. [PMID: 17891159]
  • Denis S Theobald, Giselher Fritschi, Hans H Maurer. Studies on the toxicological detection of the designer drug 4-bromo-2,5-dimethoxy-beta-phenethylamine (2C-B) in rat urine using gas chromatography-mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2007 Feb; 846(1-2):374-7. doi: 10.1016/j.jchromb.2006.08.049. [PMID: 16978931]
  • Chung-Chen Tsai, Ju-Tsung Liu, You-Ren Shu, Po-Han Chan, Cheng-Huang Lin. Optimization of the separation and on-line sample concentration of phenethylamine designer drugs with capillary electrophoresis-fluorescence detection. Journal of chromatography. A. 2006 Jan; 1101(1-2):319-23. doi: 10.1016/j.chroma.2005.11.029. [PMID: 16325192]
  • Helena Carmo, Douwe de Boer, Fernando Remião, Félix Carvalho, Lesseps A dos Reys, Maria de Lourdes Bastos. Metabolism of the designer drug 4-bromo-2,5-dimethoxyphenethylamine (2C-B) in mice, after acute administration. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2004 Nov; 811(2):143-52. doi: 10.1016/j.jchromb.2004.08.026. [PMID: 15522713]
  • Shawn P Vorce, Jason H Sklerov. A general screening and confirmation approach to the analysis of designer tryptamines and phenethylamines in blood and urine using GC-EI-MS and HPLC-electrospray-MS. Journal of analytical toxicology. 2004 Sep; 28(6):407-10. doi: 10.1093/jat/28.6.407. [PMID: 15516287]
  • M E Soares, M Carvalho, H Carmo, F Remião, F Carvalho, M L Bastos. Simultaneous determination of amphetamine derivatives in human urine after SPE extraction and HPLC-UV analysis. Biomedical chromatography : BMC. 2004 Mar; 18(2):125-31. doi: 10.1002/bmc.315. [PMID: 15039965]
  • Tatsuyuki Kanamori, Hiroyuki Inoue, Yuko Iwata, Yoshihito Ohmae, Tohru Kishi. In vivo metabolism of 4-bromo-2,5-dimethoxyphenethylamine (2C-B) in the rat: identification of urinary metabolites. Journal of analytical toxicology. 2002 Mar; 26(2):61-6. doi: 10.1093/jat/26.2.61. [PMID: 11916016]
  • Akira Namera, Mikio Yashiki, Tohru Kojima, Makoto Ueki. Automated headspace solid-phase microextraction and in-matrix derivatization for the determination of amphetamine-related drugs in human urine by gas chromatography-mass spectrometry. Journal of chromatographic science. 2002 Jan; 40(1):19-25. doi: 10.1093/chromsci/40.1.19. [PMID: 11866382]
  • A Kaddoumi, M N Nakashima, K Nakashima. Fluorometric determination of DL-fenfluramine, DL-norfenfluramine and phentermine in plasma by achiral and chiral high-performance liquid chromatography. Journal of chromatography. B, Biomedical sciences and applications. 2001 Nov; 763(1-2):79-90. doi: 10.1016/s0378-4347(01)00368-1. [PMID: 11710586]