Valdecoxib (BioDeep_00000399170)

Main id: BioDeep_00000001946

 

natural product


代谢物信息卡片


Valdecoxib

化学式: C16H14N2O3S (314.07250940000006)
中文名称: 伐地考昔
谱图信息: 最多检出来源 Homo sapiens(natural_products) 50%

分子结构信息

SMILES: C1=CC=CC(=C1)C2=NOC(=C2C3=CC=C(C=C3)S(N)(=O)=O)C
InChI: InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)

描述信息

M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AH - Coxibs
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors
D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents
D002491 - Central Nervous System Agents > D000700 - Analgesics
C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
D000893 - Anti-Inflammatory Agents

同义名列表

1 个代谢物同义名

Valdecoxib



数据库引用编号

16 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

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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。

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文献列表

  • Seung Yeon Park, Wonjun Cho, A M Abd El-Aty, Ahmet Hacimuftuoglu, Ji Hoon Jeong, Tae Woo Jung. Valdecoxib attenuates lipid-induced hepatic steatosis through autophagy-mediated suppression of endoplasmic reticulum stress. Biochemical pharmacology. 2022 05; 199(?):115022. doi: 10.1016/j.bcp.2022.115022. [PMID: 35358477]
  • Tae Jin Kim, Hyun Jung Lee, Do Hyeon Pyun, A M Abd El-Aty, Ji Hoon Jeong, Tae Woo Jung. Valdecoxib improves lipid-induced skeletal muscle insulin resistance via simultaneous suppression of inflammation and endoplasmic reticulum stress. Biochemical pharmacology. 2021 06; 188(?):114557. doi: 10.1016/j.bcp.2021.114557. [PMID: 33844985]
  • Mengchun Chen, Wei Sun, Zhe Wang, Chengke Huang, Guoxin Hu, Yijie Chen, Ledan Wang. Determination of parecoxib and valdecoxib in rat plasma by UPLC-MS/MS and its application to pharmacokinetics studies. BMC pharmacology & toxicology. 2020 04; 21(1):27. doi: 10.1186/s40360-020-00406-5. [PMID: 32264977]
  • Shuang-Long Li, Yong-Liang Zhu, Chun-Yang Zhu, Shao-Bin Li, Zi-Heng Li, Xiang-Jun Qiu. Simultaneous Determination of Parecoxib and Its Metabolite Valdecoxib Concentrations in Beagle Plasma by UPLC-MS/MS and Application for Pharmacokinetics Study. Drug design, development and therapy. 2020; 14(?):1117-1125. doi: 10.2147/dddt.s226349. [PMID: 32214797]
  • Jie Hu, Bing-Feng Lv, Wen-Jing Guo, Bo-Wen Wang, Di Miao, Xiang-Jun Qiu, Xing-Peng Chen. Effects of Dexmedetomidine on the Pharmacokinetics of Parecoxib and Its Metabolite Valdecoxib in Beagles by UPLC-MS/MS. BioMed research international. 2020; 2020(?):1563874. doi: 10.1155/2020/1563874. [PMID: 32832543]
  • Xiaoliang Jin, Fang Zhou, Yan Liu, Chen Cheng, Lan Yao, Yuanwei Jia, Guangji Wang, Jingwei Zhang. Simultaneous determination of parecoxib and its main metabolites valdecoxib and hydroxylated valdecoxib in mouse plasma with a sensitive LC-MS/MS method to elucidate the decreased drug metabolism of tumor bearing mice. Journal of pharmaceutical and biomedical analysis. 2018 Sep; 158(?):1-7. doi: 10.1016/j.jpba.2018.05.034. [PMID: 29843006]
  • Jaya Prabhakaran, Mark Underwood, Francesca Zanderigo, Norman R Simpson, Anna R Cooper, Jeffrey Matthew, Harry Rubin-Falcone, Ramin V Parsey, J John Mann, J S Dileep Kumar. Radiosynthesis and in vivo evaluation of [11C]MOV as a PET imaging agent for COX-2. Bioorganic & medicinal chemistry letters. 2018 08; 28(14):2432-2435. doi: 10.1016/j.bmcl.2018.06.015. [PMID: 29929881]
  • Aysun Inan Genç, Seher Gok, Sreeparna Banerjee, Feride Severcan. Valdecoxib Recovers the Lipid Composition, Order and Dynamics in Colon Cancer Cell Lines Independent of COX-2 Expression: An ATR-FTIR Spectroscopy Study. Applied spectroscopy. 2017 01; 71(1):105-117. doi: 10.1177/0003702816654164. [PMID: 27354402]
  • Meina Liu, Qiuyang Yu, Ping Li, Meng Zhu, Mingming Fang, Bingjun Sun, Mengchi Sun, Yinghua Sun, Peng Zhang, Zhonggui He, Jin Sun, Yongjun Wang, Xiaohong Liu. Simultaneous determination of parecoxib sodium and its active metabolite valdecoxib in rat plasma by UPLC-MS/MS and its application to a pharmacokinetic study after intravenous and intramuscular administration. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2016 Jun; 1022(?):220-229. doi: 10.1016/j.jchromb.2016.04.009. [PMID: 27107851]
  • T W Kim, C Vercelli, A Briganti, G Re, M Giorgi. The pharmacokinetics and in vitro/ex vivo cyclooxygenase selectivity of parecoxib and its active metabolite valdecoxib in cats. Veterinary journal (London, England : 1997). 2014 Oct; 202(1):37-42. doi: 10.1016/j.tvjl.2014.07.025. [PMID: 25135338]
  • Daphna Laifenfeld, Luping Qiu, Rachel Swiss, Jennifer Park, Michael Macoritto, Yvonne Will, Husam S Younis, Michael Lawton. Utilization of causal reasoning of hepatic gene expression in rats to identify molecular pathways of idiosyncratic drug-induced liver injury. Toxicological sciences : an official journal of the Society of Toxicology. 2014 Jan; 137(1):234-48. doi: 10.1093/toxsci/kft232. [PMID: 24136188]
  • Maria V Encinas, Eduardo Lissi, Claudio Vergara. Association of valdecoxib, a nonsteroidal anti-inflammatory drug, with human serum albumin. Photochemistry and photobiology. 2013 Nov; 89(6):1399-405. doi: 10.1111/php.12158. [PMID: 23952101]
  • Ghan-Shyam Lohiya, Piyush Lohiya, Vamsi Krishna, Sunita Lohiya. Death related to Ibuprofen, valdecoxib, and medical errors: case report and medicolegal issues. Journal of occupational and environmental medicine. 2013 Jun; 55(6):601-3. doi: 10.1097/jom.0b013e3182972ecf. [PMID: 23743867]
  • Cho-Ming Loi, Dennis A Smith, Deepak Dalvie. Which metabolites circulate?. Drug metabolism and disposition: the biological fate of chemicals. 2013 May; 41(5):933-51. doi: 10.1124/dmd.112.050278. [PMID: 23454828]
  • M Giorgi, G Saccomanni, S Del Carlo, C Manera, E Lavy. Pharmacokinetics of intravenous and intramuscular parecoxib in healthy Beagles. Veterinary journal (London, England : 1997). 2012 Jul; 193(1):246-50. doi: 10.1016/j.tvjl.2011.11.005. [PMID: 22130459]
  • Bruce Hullett, Sam Salman, Sean J O'Halloran, Deborah Peirce, Kylie Davies, Kenneth F Ilett. Development of a population pharmacokinetic model for parecoxib and its active metabolite valdecoxib after parenteral parecoxib administration in children. Anesthesiology. 2012 May; 116(5):1124-33. doi: 10.1097/aln.0b013e31825154ef. [PMID: 22450476]
  • Michael J Paech, Sam Salman, Kenneth F Ilett, Sean J O'Halloran, Neil A Muchatuta. Transfer of parecoxib and its primary active metabolite valdecoxib via transitional breastmilk following intravenous parecoxib use after cesarean delivery: a comparison of naive pooled data analysis and nonlinear mixed-effects modeling. Anesthesia and analgesia. 2012 Apr; 114(4):837-44. doi: 10.1213/ane.0b013e3182468fa7. [PMID: 22344242]
  • Andy J Liedtke, Brenda C Crews, Cristina M Daniel, Anna L Blobaum, Philip J Kingsley, Kebreab Ghebreselasie, Lawrence J Marnett. Cyclooxygenase-1-selective inhibitors based on the (E)-2'-des-methyl-sulindac sulfide scaffold. Journal of medicinal chemistry. 2012 Mar; 55(5):2287-300. doi: 10.1021/jm201528b. [PMID: 22263894]
  • G Saccomanni, M Giorgi, S Del Carlo, C Manera, A Saba, M Macchia. Simultaneous detection and quantification of parecoxib and valdecoxib in canine plasma by HPLC with spectrofluorimetric detection: development and validation of a new methodology. Analytical and bioanalytical chemistry. 2011 Sep; 401(5):1677-84. doi: 10.1007/s00216-011-5244-4. [PMID: 21769548]
  • Yasuto Kido, Pär Matsson, Kathleen M Giacomini. Profiling of a prescription drug library for potential renal drug-drug interactions mediated by the organic cation transporter 2. Journal of medicinal chemistry. 2011 Jul; 54(13):4548-58. doi: 10.1021/jm2001629. [PMID: 21599003]
  • Anke Olliges, Stefanie Wimmer, Rolf M Nüsing. Defects in mouse nephrogenesis induced by selective and non-selective cyclooxygenase-2 inhibitors. British journal of pharmacology. 2011 Jul; 163(5):927-36. doi: 10.1111/j.1476-5381.2011.01313.x. [PMID: 21391980]
  • Amit Gupta, Anil Kumar, S K Kulkarni. Targeting oxidative stress, mitochondrial dysfunction and neuroinflammatory signaling by selective cyclooxygenase (COX)-2 inhibitors mitigates MPTP-induced neurotoxicity in mice. Progress in neuro-psychopharmacology & biological psychiatry. 2011 Jun; 35(4):974-81. doi: 10.1016/j.pnpbp.2011.01.017. [PMID: 21291942]
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  • Piet Borgdorff, M Louis Handoko, Yeun Ying Wong, Geert Jan Tangelder. COX-2 Inhibition by Use of Rofecoxib or High Dose Aspirin Enhances ADP-Induced Platelet Aggregation in Fresh Blood. The open cardiovascular medicine journal. 2010 Oct; 4(?):198-205. doi: 10.2174/1874192401004010198. [PMID: 21331307]
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  • Stein Erik Utvåg, Ole Martin Fuskevåg, Hamid Shegarfi, Olav Reikerås. Short-term treatment with COX-2 inhibitors does not impair fracture healing. Journal of investigative surgery : the official journal of the Academy of Surgical Research. 2010 Oct; 23(5):257-61. doi: 10.3109/08941939.2010.481009. [PMID: 20874480]
  • Włodzimierz Matysiak, Barbara Jodłowska-Jedrych. Does administration of non-steroidal anti-inflammatory drug determine morphological changes in adrenal cortex: ultrastructural studies. Protoplasma. 2010 Oct; 246(1-4):109-18. doi: 10.1007/s00709-010-0194-9. [PMID: 20721677]
  • Masahide Hamaguchi, Takahiro Seno, Aihiro Yamamoto, Masataka Kohno, Masatoshi Kadoya, Hidetaka Ishino, Eishi Ashihara, Shinya Kimura, Yoshinori Tsubakimoto, Hiroki Takata, Toshikazu Yoshikawa, Taira Maekawa, Yutaka Kawahito. Loxoprofen Sodium, a Non-Selective NSAID, Reduces Atherosclerosis in Mice by Reducing Inflammation. Journal of clinical biochemistry and nutrition. 2010 Sep; 47(2):138-47. doi: 10.3164/jcbn.10-33. [PMID: 20838569]
  • Shepherd R Singer, Michal Amit-Kohn, Samuel Weiss, Jonathan Rosenblum, Guy Maoz, Noah Samuels, Esther Lukasiewicz, Laurence Freedman, Ora Paltiel, Menachem Itzchaki, Meir Niska, Menachem Oberbaum. Traumeel S for pain relief following hallux valgus surgery: a randomized controlled trial. BMC clinical pharmacology. 2010 Apr; 10(?):9. doi: 10.1186/1472-6904-10-9. [PMID: 20380750]
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  • Anil Kumar, Beenta Kumari, Puneet Kumar. Protective effects of selective and non-selective cyclooxygenase inhibitors in an animal model of chronic stress. Neuroscience bulletin. 2010 Feb; 26(1):17-27. doi: 10.1007/s12264-010-0713-x. [PMID: 20101269]
  • Bertold Renner, Josef Zacher, Asokumar Buvanendran, Gerrit Walter, Jochen Strauss, Kay Brune. Absorption and distribution of etoricoxib in plasma, CSF, and wound tissue in patients following hip surgery--a pilot study. Naunyn-Schmiedeberg's archives of pharmacology. 2010 Feb; 381(2):127-36. doi: 10.1007/s00210-009-0482-0. [PMID: 20052461]
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  • Sagar M Agnihotri, Pradeep R Vavia. Pharmacokinetics of intramuscular microparticle depot of valdecoxib in an experimental model. Drug development and industrial pharmacy. 2009 Sep; 35(9):1043-7. doi: 10.1080/03639040902762979. [PMID: 19365783]
  • Muzamil Ahmad, Yuquin Zhang, Hao Liu, Marie E Rose, Steven H Graham. Prolonged opportunity for neuroprotection in experimental stroke with selective blockade of cyclooxygenase-2 activity. Brain research. 2009 Jul; 1279(?):168-73. doi: 10.1016/j.brainres.2009.05.020. [PMID: 19446533]
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  • D Vijaya Bharathi, A Naidu, B Jagadeesh, K N K Maha Laxmi, P Revathi Naga Laxmi, Pandu Ranga Reddy, Ramesh Mullangi. Development and validation of a sensitive LC-MS/MS method with electrospray ionization for quantitation of zafirlukast, a selective leukotriene antagonist in human plasma: application to a clinical pharmacokinetic study. Biomedical chromatography : BMC. 2008 Jun; 22(6):645-53. doi: 10.1002/bmc.983. [PMID: 18254142]
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  • V Mehta, A Johnston, R Cheung, A Bello, R M Langford. Intravenous parecoxib rapidly leads to COX-2 inhibitory concentration of valdecoxib in the central nervous system. Clinical pharmacology and therapeutics. 2008 Mar; 83(3):430-5. doi: 10.1038/sj.clpt.6100304. [PMID: 17687276]
  • V Molmoori, K Srisailam, V Ciddi. Biotransformation of valdecoxib by plant cell cultures. Applied biochemistry and biotechnology. 2008 Mar; 144(3):201-12. doi: 10.1007/s12010-007-8102-2. [PMID: 18556810]
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