1-((4-Methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole (BioDeep_00000008816)
Secondary id: BioDeep_00001874700
human metabolite blood metabolite
代谢物信息卡片
化学式: C17H12F4N2O2S (384.0556)
中文名称: 1-[(4-甲基磺酰基)苯基]-3-三氟甲基-5-(4-氟苯基)吡唑
谱图信息:
最多检出来源 Homo sapiens(blood) 26.24%
分子结构信息
SMILES: CS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(F)C=C1)C(F)(F)F
InChI: InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
描述信息
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents
D002491 - Central Nervous System Agents > D000700 - Analgesics
D000893 - Anti-Inflammatory Agents
D004791 - Enzyme Inhibitors
同义名列表
7 个代谢物同义名
5-(4-fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole; 5-(4-fluorophenyl)-1-(4-methanesulfonylphenyl)-3-(trifluoromethyl)-1H-pyrazole; 5-(4-fluorophenyl)-1-(4-methanesulfonylphenyl)-3-(trifluoromethyl)pyrazole; 1-((4-Methylsulphonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole; 1-((4-Methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole; SC-58125; SC-58125
数据库引用编号
12 个数据库交叉引用编号
- ChEBI: CHEBI:8983
- KEGG: C11705
- PubChem: 115239
- HMDB: HMDB0257537
- Metlin: METLIN64855
- ChEMBL: CHEMBL274990
- chemspider: 103110
- CAS: 162054-19-5
- PMhub: MS000022518
- PubChem: 13870
- NIKKAJI: J642.701D
- KNApSAcK: 8983
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
- Ariane Bischoff, Michael Bucher, Michael Gekle, Christoph Sauvant. Differential effect of COX1 and COX2 inhibitors on renal outcomes following ischemic acute kidney injury.
American journal of nephrology.
2014; 40(1):1-11. doi:
10.1159/000363251. [PMID: 24943263] - Matthew P Bernard, Richard P Phipps. Inhibition of cyclooxygenase-2 impairs the expression of essential plasma cell transcription factors and human B-lymphocyte differentiation.
Immunology.
2010 Jan; 129(1):87-96. doi:
10.1111/j.1365-2567.2009.03152.x. [PMID: 20050331] - Zhenheng Guo, Wen Su, Shannon Allen, Huan Pang, Alan Daugherty, Eric Smart, Ming C Gong. COX-2 up-regulation and vascular smooth muscle contractile hyperreactivity in spontaneous diabetic db/db mice.
Cardiovascular research.
2005 Sep; 67(4):723-35. doi:
10.1016/j.cardiores.2005.04.008. [PMID: 15885672] - Takayuki Fujino, Naoki Nakagawa, Koh-Ichi Yuhki, Akiyoshi Hara, Takehiro Yamada, Koji Takayama, Shuhko Kuriyama, Yayoi Hosoki, Osamu Takahata, Takanobu Taniguchi, Jun Fukuzawa, Naoyuki Hasebe, Kenjiro Kikuchi, Shuh Narumiya, Fumitaka Ushikubi. Decreased susceptibility to renovascular hypertension in mice lacking the prostaglandin I2 receptor IP.
The Journal of clinical investigation.
2004 Sep; 114(6):805-12. doi:
10.1172/jci21382. [PMID: 15372104] - Michele I Slogoff, Richard T Ethridge, Srinivasan Rajaraman, B Mark Evers. COX-2 inhibition results in alterations in nuclear factor (NF)-kappaB activation but not cytokine production in acute pancreatitis.
Journal of gastrointestinal surgery : official journal of the Society for Surgery of the Alimentary Tract.
2004 May; 8(4):511-9. doi:
10.1016/j.gassur.2003.11.023. [PMID: 15120378] - P T Bozza, P Pacheco, W Yu, P F Weller. NS-398: cyclooxygenase-2 independent inhibition of leukocyte priming for lipid body formation and enhanced leukotriene generation.
Prostaglandins, leukotrienes, and essential fatty acids.
2002 Oct; 67(4):237-44. doi:
10.1054/plef.2002.0425. [PMID: 12401438] - Timothy J McCarthy, Ahmed U Sheriff, Matthew J Graneto, John J Talley, Michael J Welch. Radiosynthesis, in vitro validation, and in vivo evaluation of 18F-labeled COX-1 and COX-2 inhibitors.
Journal of nuclear medicine : official publication, Society of Nuclear Medicine.
2002 Jan; 43(1):117-24. doi:
NULL. [PMID: 11801714] - R S Ostrom, C Gregorian, R M Drenan, K Gabot, B K Rana, P A Insel. Key role for constitutive cyclooxygenase-2 of MDCK cells in basal signaling and response to released ATP.
American journal of physiology. Cell physiology.
2001 Aug; 281(2):C524-31. doi:
10.1152/ajpcell.2001.281.2.c524. [PMID: 11443051] - E M Grossman, W E Longo, N Panesar, J E Mazuski, D L Kaminski. The role of cyclooxygenase enzymes in the growth of human gall bladder cancer cells.
Carcinogenesis.
2000 Jul; 21(7):1403-9. doi:
10.1093/carcin/21.7.1403. [PMID: 10874020] - B A Erickson, W E Longo, N Panesar, J E Mazuski, D L Kaminski. The effect of selective cyclooxygenase inhibitors on intestinal epithelial cell mitogenesis.
The Journal of surgical research.
1999 Jan; 81(1):101-7. doi:
10.1006/jsre.1998.5511. [PMID: 9889067] - W E Longo, N Panesar, J Mazuski, D L Kaminski. Contribution of cyclooxygenase-1 and cyclooxygenase-2 to prostanoid formation by human enterocytes stimulated by calcium ionophore and inflammatory agents.
Prostaglandins & other lipid mediators.
1998 Aug; 56(5-6):325-39. doi:
10.1016/s0090-6980(98)00058-6. [PMID: 9990676] - G G Sheng, J Shao, H Sheng, E B Hooton, P C Isakson, J D Morrow, R J Coffey, R N DuBois, R D Beauchamp. A selective cyclooxygenase 2 inhibitor suppresses the growth of H-ras-transformed rat intestinal epithelial cells.
Gastroenterology.
1997 Dec; 113(6):1883-91. doi:
10.1016/s0016-5085(97)70007-6. [PMID: 9394727] - T D Penning, J J Talley, S R Bertenshaw, J S Carter, P W Collins, S Docter, M J Graneto, L F Lee, J W Malecha, J M Miyashiro, R S Rogers, D J Rogier, S S Yu, AndersonGD, E G Burton, J N Cogburn, S A Gregory, C M Koboldt, W E Perkins, K Seibert, A W Veenhuizen, Y Y Zhang, P C Isakson. Synthesis and biological evaluation of the 1,5-diarylpyrazole class of cyclooxygenase-2 inhibitors: identification of 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benze nesulfonamide (SC-58635, celecoxib).
Journal of medicinal chemistry.
1997 Apr; 40(9):1347-65. doi:
10.1021/jm960803q. [PMID: 9135032] - J K Gierse, J J McDonald, S D Hauser, S H Rangwala, C M Koboldt, K Seibert. A single amino acid difference between cyclooxygenase-1 (COX-1) and -2 (COX-2) reverses the selectivity of COX-2 specific inhibitors.
The Journal of biological chemistry.
1996 Jun; 271(26):15810-4. doi:
10.1074/jbc.271.26.15810. [PMID: 8663121] - G D Anderson, S D Hauser, K L McGarity, M E Bremer, P C Isakson, S A Gregory. Selective inhibition of cyclooxygenase (COX)-2 reverses inflammation and expression of COX-2 and interleukin 6 in rat adjuvant arthritis.
The Journal of clinical investigation.
1996 Jun; 97(11):2672-9. doi:
10.1172/jci118717. [PMID: 8647962]
