Ibufenac (BioDeep_00000179902)

   

human metabolite blood metabolite


代谢物信息卡片


2-[4-(2-methylpropyl)phenyl]acetic acid

化学式: C12H16O2 (192.1150236)
中文名称: 异丁芬酸
谱图信息: 最多检出来源 Homo sapiens(blood) 66.67%

分子结构信息

SMILES: CC(C)CC1=CC=C(C=C1)CC(=O)O
InChI: InChI=1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)

描述信息

C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

同义名列表

14 个代谢物同义名

2-[4-(2-methylpropyl)phenyl]acetic acid; 4-(2-Methylpropyl)benzeneacetic acid; 2-[4-(2-Methylpropyl)phenyl]acetate; 4-(2-Methylpropyl)benzeneacetate; (p-Isobutylphenyl)acetic acid; 4-Isobutylphenylacetic acid; (p-Isobutylphenyl)acetate; 4-Isobutylphenylacetate; Ibufenac sodium salt; Ibufenacum; Ibufenaco; Dytransin; Ibufenac; Ibunac



数据库引用编号

6 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

  • 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]
  • Tobie D Lee, Olivia W Lee, Kyle R Brimacombe, Lu Chen, Rajarshi Guha, Sabrina Lusvarghi, Bethilehem G Tebase, Carleen Klumpp-Thomas, Robert W Robey, Suresh V Ambudkar, Min Shen, Michael M Gottesman, Matthew D Hall. A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology. 2019 11; 96(5):629-640. doi: 10.1124/mol.119.115964. [PMID: 31515284]
  • C H Johnson, E Karlsson, S Sarda, L Iddon, M Iqbal, X Meng, J R Harding, A V Stachulski, J K Nicholson, I D Wilson, J C Lindon. Integrated HPLC-MS and (1)H-NMR spectroscopic studies on acyl migration reaction kinetics of model drug ester glucuronides. Xenobiotica; the fate of foreign compounds in biological systems. 2010 Jan; 40(1):9-23. doi: 10.3109/00498250903348720. [PMID: 19919325]
  • M Castillo, P C Smith. Disposition and reactivity of ibuprofen and ibufenac acyl glucuronides in vivo in the rhesus monkey and in vitro with human serum albumin. Drug metabolism and disposition: the biological fate of chemicals. 1995 May; 23(5):566-72. doi: NULL. [PMID: 7587932]
  • C S Rao, R D Schoenwald, C F Barfknecht, S L Laban. Biopharmaceutical evaluation of ibufenac, ibuprofen, and their hydroxyethoxy analogs in the rabbit eye. Journal of pharmacokinetics and biopharmaceutics. 1992 Aug; 20(4):357-88. doi: 10.1007/bf01062463. [PMID: 1479559]
  • P E Minkler, C L Hoppel. Determination of ibuprofen in human plasma by high-performance liquid chromatography. Journal of chromatography. 1988 Jul; 428(2):388-94. doi: 10.1016/s0378-4347(00)83933-x. [PMID: 3215943]
  • K Chiba, S Kikuchi, K Mino, S Nishimura, S Miyazaki, M Takada. Comparative study of the interaction between sulfamethizole and ibufenac, sulindac or mepirizole at the renal level in rats. Chemical & pharmaceutical bulletin. 1987 Nov; 35(11):4650-5. doi: 10.1248/cpb.35.4650. [PMID: 3442900]
  • L Heikkinen. Silica capillary gas chromatographic determination of ibuprofen in serum. Journal of chromatography. 1984 Apr; 307(1):206-9. doi: 10.1016/s0378-4347(00)84089-x. [PMID: 6327747]
  • R P Wilson, P L Fowlkes. Activity of glutamine synthetase in channel catfish tissues determined by an improved tissue assay method. Comparative biochemistry and physiology. B, Comparative biochemistry. 1976; 54(3):365-8. doi: 10.1016/0305-0491(76)90258-3. [PMID: 6197]
  • S S ADAMS, E E CLIFFE. NOTE ON THE ESTIMATION OF IBUFENAC IN SERUM. The Journal of pharmacy and pharmacology. 1965 Mar; 17(?):173-5. doi: 10.1111/j.2042-7158.1965.tb07636.x. [PMID: 14296939]
  • S S ADAMS, E E CLIFFE, B LESSEL, J S NICHOLSON. SOME BIOLOGICAL PROPERTIES OF 'IBUFENAC', A NEW ANTI-RHEUMATIC DRUG. Nature. 1963 Oct; 200(?):271-2. doi: 10.1038/200271b0. [PMID: 14081077]