dup-697 (BioDeep_00000008815)

 

Secondary id: BioDeep_00001883332

Volatile Flavor Compounds


代谢物信息卡片


Thiophene, 5-bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)-

化学式: C17H12BrFO2S2 (409.94460839999994)
中文名称: 5-溴-2-(4-氟苯基)-3-(4-甲基磺酰基苯基)噻吩
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)C2=C(SC(=C2)Br)C3=CC=C(C=C3)F
InChI: InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/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

5 个代谢物同义名

Thiophene, 5-bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)-; 5-bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)-thiophene; dup-697; DuP 697; DuP 697



数据库引用编号

10 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

  • Mark J Henderson, Kathleen A Trychta, Shyh-Ming Yang, Susanne Bäck, Adam Yasgar, Emily S Wires, Carina Danchik, Xiaokang Yan, Hideaki Yano, Lei Shi, Kuo-Jen Wu, Amy Q Wang, Dingyin Tao, Gergely Zahoránszky-Kőhalmi, Xin Hu, Xin Xu, David Maloney, Alexey V Zakharov, Ganesha Rai, Fumihiko Urano, Mikko Airavaara, Oksana Gavrilova, Ajit Jadhav, Yun Wang, Anton Simeonov, Brandon K Harvey. A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. Cell reports. 2021 04; 35(4):109040. doi: 10.1016/j.celrep.2021.109040. [PMID: 33910017]
  • Yanmei Zhang, Yican Wang, Chuang He, Xiaorong Liu, Yongzhi Lu, Tingting Chen, Qiong Pan, Jingfang Xiong, Miaoqin She, Zhengchao Tu, Xiaochu Qin, Minke Li, Micky D Tortorella, John J Talley. Pentafluorosulfanyl-Substituted Benzopyran Analogues As New Cyclooxygenase-2 Inhibitors with Excellent Pharmacokinetics and Efficacy in Blocking Inflammation. Journal of medicinal chemistry. 2017 05; 60(10):4135-4146. doi: 10.1021/acs.jmedchem.6b01484. [PMID: 28475316]
  • Suresh Ranga Rao, T M Balaji, P S G Prakash, Vamsi Lavu. Elevated levels of cyclooxygenase 1 and 2 in human cyclosporine induced gingival overgrowth. Prostaglandins & other lipid mediators. 2014 Oct; 113-115(?):69-74. doi: 10.1016/j.prostaglandins.2014.07.003. [PMID: 25124319]
  • Andrea Chicca, Diego Caprioglio, Alberto Minassi, Vanessa Petrucci, Giovanni Appendino, Orazio Taglialatela-Scafati, Jürg Gertsch. Functionalization of β-caryophyllene generates novel polypharmacology in the endocannabinoid system. ACS chemical biology. 2014 Jul; 9(7):1499-507. doi: 10.1021/cb500177c. [PMID: 24831513]
  • Ihsan Ergün, M Cenk Akbostanci, Başol Canbakan, Bilge Koçer, Arzu Ensari, Gökhan Nergizoglu, Kenan Keven. Minimal change nephrotic syndrome with stiff-person syndrome: is there a link?. American journal of kidney diseases : the official journal of the National Kidney Foundation. 2005 Jul; 46(1):e11-4. doi: 10.1053/j.ajkd.2005.03.009. [PMID: 15983949]
  • Ivana Vanecková, Monika Cahová, Herbert J Kramer, Zuzana Husková, Petra Skaroupková, Radko Komers, Michael Bader, Detlev Ganten, Ludek Cervenka. Acute effects of cyclooxygenase-2 inhibition on renal function in heterozygous ren-2-transgenic rats on normal or low sodium intake. Kidney & blood pressure research. 2004; 27(4):203-10. doi: 10.1159/000079865. [PMID: 15273422]
  • Erik F J de Vries, Aren van Waarde, Anne Rixt Buursma, Willem Vaalburg. Synthesis and in vivo evaluation of 18F-desbromo-DuP-697 as a PET tracer for cyclooxygenase-2 expression. Journal of nuclear medicine : official publication, Society of Nuclear Medicine. 2003 Oct; 44(10):1700-6. doi: . [PMID: 14530489]
  • Nandini Rudra-Ganguly, Srinivasa T Reddy, Paavo Korge, Harvey R Herschman. Diesel exhaust particle extracts and associated polycyclic aromatic hydrocarbons inhibit Cox-2-dependent prostaglandin synthesis in murine macrophages and fibroblasts. The Journal of biological chemistry. 2002 Oct; 277(42):39259-65. doi: 10.1074/jbc.m110215200. [PMID: 12163478]
  • Takafumi Yokota, C S Reddy Meka, Kay L Medina, Hideya Igarashi, Phillip C Comp, Masahiko Takahashi, Makoto Nishida, Kenji Oritani, Jun-Ichiro Miyagawa, Tohru Funahashi, Yoshiaki Tomiyama, Yuji Matsuzawa, Paul W Kincade. Paracrine regulation of fat cell formation in bone marrow cultures via adiponectin and prostaglandins. The Journal of clinical investigation. 2002 May; 109(10):1303-10. doi: 10.1172/jci14506. [PMID: 12021245]
  • T Kinouchi, K Kataoka, S R Bing, H Nakayama, M Uejima, K Shimono, T Kuwahara, S Akimoto, I Hiraoka, Y Ohnishi. Culture supernatants of Lactobacillus acidophilus and Bifidobacterium adolescentis repress ileal ulcer formation in rats treated with a nonsteroidal antiinflammatory drug by suppressing unbalanced growth of aerobic bacteria and lipid peroxidation. Microbiology and immunology. 1998; 42(5):347-55. doi: 10.1111/j.1348-0421.1998.tb02294.x. [PMID: 9654366]
  • K Seibert, J L Masferrer, P Needleman, D Salvemini. Pharmacological manipulation of cyclo-oxygenase-2 in the inflamed hydronephrotic kidney. British journal of pharmacology. 1996 Mar; 117(6):1016-20. doi: 10.1111/j.1476-5381.1996.tb16691.x. [PMID: 8882591]
  • A S Joshi, N Raghavan, R M Williams, K Takahashi, H Shingu, S Y King. Simultaneous quantification of an anti-inflammatory compound (DuP 697) and a potential metabolite (X6882) in human plasma and urine by high-performance liquid chromatography. Journal of chromatography. B, Biomedical applications. 1994 Oct; 660(1):143-50. doi: 10.1016/0378-4347(94)00272-x. [PMID: 7858707]
  • K R Gans, W Galbraith, R J Roman, S B Haber, J S Kerr, W K Schmidt, C Smith, W E Hewes, N R Ackerman. Anti-inflammatory and safety profile of DuP 697, a novel orally effective prostaglandin synthesis inhibitor. The Journal of pharmacology and experimental therapeutics. 1990 Jul; 254(1):180-7. doi: . [PMID: 2366180]