SC-58125 (BioDeep_00001874700)

Main id: BioDeep_00000008816

 


代谢物信息卡片


1-((4-Methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole

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 () 0%

分子结构信息

SMILES: CS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)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

3 个代谢物同义名

1-((4-Methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole; SC-58125; SC-58125



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。

亚细胞结构定位 关联基因列表
Cytoplasm 7 BCL2, KAT5, NOS3, PTGS1, PTGS2, TLR2, TLR3
Peripheral membrane protein 3 AP1S2, PTGS1, PTGS2
Endosome membrane 1 TLR3
Endoplasmic reticulum membrane 6 BCL2, HMOX1, PTGES, PTGS1, PTGS2, TLR3
Nucleus 5 ATF3, BCL2, HMOX1, KAT5, NOS3
cytosol 5 AP1S2, BCL2, HMOX1, KAT5, NOS3
nucleoplasm 4 ATF3, HMOX1, KAT5, NOS3
RNA polymerase II transcription regulator complex 1 ATF3
Cell membrane 3 PTGER4, TLR6, TNF
Cytoplasmic side 2 AP1S2, HMOX1
Multi-pass membrane protein 4 PTGER4, PTGES, SLC22A6, SLC22A8
cell surface 3 CD40, TLR2, TNF
Golgi apparatus 5 AP1S2, NOS3, PTGS1, TLR2, TLR6
Golgi membrane 3 AP1S2, NOS3, TLR3
lysosomal membrane 2 AP1S2, TLR3
neuronal cell body 2 CD40, TNF
plasma membrane 10 CD40, F2, NOS3, PTGER4, SLC22A6, SLC22A8, TLR2, TLR3, TLR6, TNF
Membrane 9 BCL2, CD40, HMOX1, PTGER4, PTGES, SLC22A6, TLR2, TLR3, TLR6
apical plasma membrane 1 SLC22A8
basolateral plasma membrane 2 SLC22A6, SLC22A8
caveola 3 NOS3, PTGS2, SLC22A6
extracellular exosome 5 CD40, F2, PTGS1, SLC22A6, SLC22A8
endoplasmic reticulum 3 BCL2, HMOX1, PTGS2
extracellular space 6 CD40, DEFB103A, F2, HMOX1, TLR3, TNF
perinuclear region of cytoplasm 4 HMOX1, KAT5, NOS3, PTGES
mitochondrion 1 BCL2
protein-containing complex 3 BCL2, PTGS2, SLC22A6
intracellular membrane-bounded organelle 4 AP1S2, CD40, KAT5, PTGS1
Microsome membrane 2 PTGS1, PTGS2
Single-pass type I membrane protein 4 CD40, TLR2, TLR3, TLR6
Secreted 2 F2, SPAG11B
extracellular region 4 DEFB103A, F2, SPAG11B, TNF
Mitochondrion outer membrane 1 BCL2
Single-pass membrane protein 2 BCL2, TLR3
mitochondrial outer membrane 2 BCL2, HMOX1
transcription regulator complex 1 KAT5
photoreceptor outer segment 1 PTGS1
Nucleus membrane 1 BCL2
Bcl-2 family protein complex 1 BCL2
nuclear membrane 1 BCL2
CD40 receptor complex 1 CD40
external side of plasma membrane 2 CD40, TNF
varicosity 1 CD40
nucleolus 2 ATF3, KAT5
Cytoplasm, P-body 1 NOS3
P-body 1 NOS3
Early endosome 2 AP1S2, TLR3
Membrane, clathrin-coated pit 1 AP1S2
clathrin-coated pit 1 AP1S2
recycling endosome 1 TNF
Single-pass type II membrane protein 1 TNF
Cytoplasm, perinuclear region 2 KAT5, PTGES
Membrane raft 3 TLR2, TLR6, TNF
pore complex 1 BCL2
extracellular matrix 1 TLR3
collagen-containing extracellular matrix 1 F2
lateral plasma membrane 1 SLC22A8
Nucleus inner membrane 1 PTGS2
Nucleus outer membrane 1 PTGS2
nuclear inner membrane 1 PTGS2
nuclear outer membrane 1 PTGS2
receptor complex 2 TLR2, TLR6
neuron projection 2 PTGS1, PTGS2
chromatin 2 ATF3, KAT5
Cytoplasmic vesicle, phagosome membrane 2 TLR2, TLR6
cell projection 1 TLR2
phagocytic cup 1 TNF
phagocytic vesicle membrane 2 TLR2, TLR6
Chromosome 1 KAT5
cytoskeleton 1 NOS3
Nucleus, nucleolus 1 KAT5
blood microparticle 1 F2
NuA4 histone acetyltransferase complex 1 KAT5
Basolateral cell membrane 2 SLC22A6, SLC22A8
site of double-strand break 1 KAT5
Cytoplasm, cytoskeleton, spindle pole 1 KAT5
Endomembrane system 2 AP1S2, PTGS1
Chromosome, centromere, kinetochore 1 KAT5
Cytoplasmic vesicle membrane 1 AP1S2
Cytoplasm, Stress granule 1 NOS3
cytoplasmic stress granule 1 NOS3
cell body 1 TLR2
myelin sheath 1 BCL2
basal plasma membrane 1 SLC22A6
trans-Golgi network membrane 1 AP1S2
secretory granule membrane 1 TLR2
Golgi lumen 2 DEFB103A, F2
endoplasmic reticulum lumen 2 F2, PTGS2
kinetochore 1 KAT5
endocytic vesicle membrane 1 NOS3
mitotic spindle pole 1 KAT5
Single-pass type IV membrane protein 1 HMOX1
nuclear envelope lumen 1 PTGES
Basal cell membrane 1 SLC22A6
histone acetyltransferase complex 1 KAT5
endolysosome membrane 1 TLR3
nucleosome 1 KAT5
Swr1 complex 1 KAT5
AP-type membrane coat adaptor complex 1 AP1S2
membrane coat 1 AP1S2
AP-1 adaptor complex 1 AP1S2
Toll-like receptor 1-Toll-like receptor 2 protein complex 1 TLR2
Toll-like receptor 2-Toll-like receptor 6 protein complex 2 TLR2, TLR6
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
BAD-BCL-2 complex 1 BCL2
CHOP-ATF3 complex 1 ATF3
[C-domain 2]: Secreted 1 TNF
[Tumor necrosis factor, membrane form]: Membrane 1 TNF
[C-domain 1]: Secreted 1 TNF
piccolo histone acetyltransferase complex 1 KAT5


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]