2,5-Dimethoxy-4-propylthiophenethylamine (BioDeep_00000173805)

   

human metabolite blood metabolite


代谢物信息卡片


2-[2,5-Dimethoxy-4-(propylsulphanyl)phenyl]ethan-1-amine

化学式: C13H21NO2S (255.1292926)
中文名称: 3,4-二羟基-Alpha-氯代苯乙酮
谱图信息: 最多检出来源 Homo sapiens(blood) 66.67%

分子结构信息

SMILES: CCCSC1=C(C=C(C(=C1)OC)CCN)OC
InChI: InChI=1S/C13H21NO2S/c1-4-7-17-13-9-11(15-2)10(5-6-14)8-12(13)16-3/h8-9H,4-7,14H2,1-3H3

描述信息

同义名列表

6 个代谢物同义名

2-[2,5-Dimethoxy-4-(propylsulphanyl)phenyl]ethan-1-amine; 2-[2,5-dimethoxy-4-(propylsulfanyl)phenyl]ethan-1-amine; 2-[2,5-dimethoxy-4-(propylsulfanyl)phenyl]ethanamine; 2,5-Dimethoxy-4-N-propylthiophenethylamine; 2,5-Dimethoxy-4-propylthiophenethylamine; 2C-T-7



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)

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

  • 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, Kenji Kuwayama, Kenji Tsujikawa, Yuko T Iwata, Hiroyuki Inoue. Urinary Excretion Profiles of 2,5-Dimethoxy-4-alkylthiophenethylamine Analogs in Rats. Biological & pharmaceutical bulletin. 2016; 39(5):883-6. doi: 10.1248/bpb.b15-00953. [PMID: 27150156]
  • Carina S D Wink, Markus R Meyer, Tina Braun, Alain Turcant, Hans H Maurer. Biotransformation and detectability of the designer drug 2,5-dimethoxy-4-propylphenethylamine (2C-P) studied in urine by GC-MS, LC-MS(n), and LC-high-resolution-MS(n). Analytical and bioanalytical chemistry. 2015 Jan; 407(3):831-43. doi: 10.1007/s00216-014-8083-2. [PMID: 25120185]
  • 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]
  • Gianpiero Boatto, Maria Nieddu, Giuseppina Dessì, Paola Manconi, Riccardo Cerri. Determination of four thiophenethylamine designer drugs (2C-T-series) in human plasma by capillary electrophoresis with mass spectrometry detection. Journal of chromatography. A. 2007 Aug; 1159(1-2):198-202. doi: 10.1016/j.chroma.2006.10.051. [PMID: 17098243]
  • T Kanamori, K Kuwayama, K Tsujikawa, H Miyaguchi, Y T Iwata, H Inoue, T Kishi. In vivo metabolism of 2,5-dimethoxy-4-propylthiophenethylamine in rat. Xenobiotica; the fate of foreign compounds in biological systems. 2007 Jun; 37(6):679-92. doi: 10.1080/00498250701329302. [PMID: 17614010]
  • Denis S Theobald, Hans H Maurer. Studies on the metabolism and toxicological detection of the designer drug 4-ethyl-2,5-dimethoxy-beta-phenethylamine (2C-E) in rat urine using gas chromatographic-mass spectrometric techniques. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2006 Oct; 842(2):76-90. doi: 10.1016/j.jchromb.2006.03.001. [PMID: 16600701]
  • 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]
  • Denis S Theobald, Roland F Staack, Michael Puetz, Hans H Maurer. New designer drug 2,5-dimethoxy-4-ethylthio-beta-phenethylamine (2C-T-2): studies on its metabolism and toxicological detection in rat urine using gas chromatography/mass spectrometry. Journal of mass spectrometry : JMS. 2005 Sep; 40(9):1157-72. doi: 10.1002/jms.890. [PMID: 16041763]
  • Denis S Theobald, Susanna Fehn, Hans H Maurer. New designer drug, 2,5-dimethoxy-4-propylthio-beta-phenethylamine (2C-T-7): studies on its metabolism and toxicological detection in rat urine using gas chromatography/mass spectrometry. Journal of mass spectrometry : JMS. 2005 Jan; 40(1):105-16. doi: 10.1002/jms.784. [PMID: 15643651]
  • Byron Curtis, Philip Kemp, Linda Harty, Chai Choi, Dix Christensen. Postmortem identification and quantitation of 2,5-dimethoxy-4-n-propylthiophenethylamine using GC-MSD and GC-NPD. Journal of analytical toxicology. 2003 Oct; 27(7):493-8. doi: 10.1093/jat/27.7.493. [PMID: 14607005]