3,4-Dimethoxy-N-(4-(3-nitrophenyl)thiazol-2-yl)benzenesulfonamide (BioDeep_00000009710)
Secondary id: BioDeep_00001869167
human metabolite blood metabolite
代谢物信息卡片
化学式: C17H15N3O6S2 (421.0402)
中文名称: Ro 61-8048
谱图信息:
最多检出来源 Homo sapiens(blood) 100%
分子结构信息
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])OC
InChI: InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19)
描述信息
同义名列表
8 个代谢物同义名
3,4-Dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzene-1-sulphonamide; 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzene-1-sulfonamide; 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide; 3,4-Dimethoxy-N-(4-(3-nitrophenyl)thiazol-2-yl)benzenesulphonamide; 3,4-Dimethoxy-N-(4-(3-nitrophenyl)thiazol-2-yl)benzenesulfonamide; Ro-61-8048 sulfonamide; Ro 61-8048; Ro 61-8048
数据库引用编号
13 个数据库交叉引用编号
- ChEBI: CHEBI:34953
- KEGG: C14126
- PubChem: 5282337
- HMDB: HMDB0257267
- Metlin: METLIN69818
- ChEMBL: CHEMBL134915
- chemspider: 4445504
- CAS: 199666-03-0
- PMhub: MS000023521
- PubChem: 7846940
- PDB-CCD: 7ZR
- NIKKAJI: J925.582F
- KNApSAcK: 34953
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
- Leticia Gil de Biedma-Elduayen, Pablo Giménez-Gómez, Nuria Morales-Puerto, Rebeca Vidal, Carlos Núñez-de la Calle, María Dolores Gutiérrez-López, Esther O'Shea, María Isabel Colado. Influx of kynurenine into the brain is involved in the reduction of ethanol consumption induced by Ro 61-8048 after chronic intermittent ethanol in mice.
British journal of pharmacology.
2022 07; 179(14):3711-3726. doi:
10.1111/bph.15825. [PMID: 35189673] - Mary Ew Collier, Shaowei Zhang, Nigel S Scrutton, Flaviano Giorgini. Inflammation control and improvement of cognitive function in COVID-19 infections: is there a role for kynurenine 3-monooxygenase inhibition?.
Drug discovery today.
2021 06; 26(6):1473-1481. doi:
10.1016/j.drudis.2021.02.009. [PMID: 33609782] - Pablo Giménez-Gómez, Mercedes Pérez-Hernández, María Dolores Gutiérrez-López, Rebeca Vidal, Cristina Abuin-Martínez, Esther O'Shea, María Isabel Colado. Increasing kynurenine brain levels reduces ethanol consumption in mice by inhibiting dopamine release in nucleus accumbens.
Neuropharmacology.
2018 06; 135(?):581-591. doi:
10.1016/j.neuropharm.2018.04.016. [PMID: 29705534] - Maria G Beconi, Dawn Yates, Kathryn Lyons, Kim Matthews, Steve Clifton, Tania Mead, Michael Prime, Dirk Winkler, Catherine O'Connell, Daryl Walter, Leticia Toledo-Sherman, Ignacio Munoz-Sanjuan, Celia Dominguez. Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
Drug metabolism and disposition: the biological fate of chemicals.
2012 Dec; 40(12):2297-306. doi:
10.1124/dmd.112.046532. [PMID: 22942319] - Bazoumana Ouattara, Samah Belkhir, Marc Morissette, Mehdi Dridi, Pershia Samadi, Laurent Grégoire, Leonard T Meltzer, Thérèse Di Paolo. Implication of NMDA receptors in the antidyskinetic activity of cabergoline, CI-1041, and Ro 61-8048 in MPTP monkeys with levodopa-induced dyskinesias.
Journal of molecular neuroscience : MN.
2009 Jun; 38(2):128-42. doi:
10.1007/s12031-008-9137-8. [PMID: 18704766] - Laurent Grégoire, Arash Rassoulpour, Paolo Guidetti, Pershia Samadi, Paul J Bédard, Emanuela Izzo, Robert Schwarcz, Thérèse Di Paolo. Prolonged kynurenine 3-hydroxylase inhibition reduces development of levodopa-induced dyskinesias in parkinsonian monkeys.
Behavioural brain research.
2008 Jan; 186(2):161-7. doi:
10.1016/j.bbr.2007.08.007. [PMID: 17868931] - Pershia Samadi, Laurent Grégoire, Arash Rassoulpour, Paolo Guidetti, Emanuela Izzo, Robert Schwarcz, Paul J Bédard. Effect of kynurenine 3-hydroxylase inhibition on the dyskinetic and antiparkinsonian responses to levodopa in Parkinsonian monkeys.
Movement disorders : official journal of the Movement Disorder Society.
2005 Jul; 20(7):792-802. doi:
10.1002/mds.20596. [PMID: 15954116] - W E Dale, Y Dang, N Amiridze, O R Brown. Evidence that kynurenine pathway metabolites mediate hyperbaric oxygen-induced convulsions.
Toxicology letters.
2000 Sep; 117(1-2):37-43. doi:
10.1016/s0378-4274(00)00232-0. [PMID: 11033231] - S Röver, A M Cesura, P Huguenin, R Kettler, A Szente. Synthesis and biochemical evaluation of N-(4-phenylthiazol-2-yl)benzenesulfonamides as high-affinity inhibitors of kynurenine 3-hydroxylase.
Journal of medicinal chemistry.
1997 Dec; 40(26):4378-85. doi:
10.1021/jm970467t. [PMID: 9435907]
