acemetacin (BioDeep_00000271461)
natural product
代谢物信息卡片
Acemetacin (Emflex)
化学式: C21H18ClNO6 (415.0823)
中文名称: 阿西美辛
谱图信息:
最多检出来源 Escherichia coli(natural_products) 69.57%
分子结构信息
SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O
InChI: InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
描述信息
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances
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
D000893 - Anti-Inflammatory Agents
D018501 - Antirheumatic Agents
CONFIDENCE standard compound; INTERNAL_ID 2151
INTERNAL_ID 2151; CONFIDENCE standard compound
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3122
EAWAG_UCHEM_ID 3122; CONFIDENCE standard compound
同义名列表
2 个代谢物同义名
数据库引用编号
35 个数据库交叉引用编号
- ChEBI: CHEBI:31162
- KEGGdrug: D88520
- KEGGdrug: D01582
- PubChem: 1981
- Metlin: METLIN44207
- DrugBank: DB13783
- ChEMBL: CHEMBL189171
- CAS: 53164-05-9
- MoNA: AU215133
- MoNA: AU215132
- MoNA: AU215131
- MoNA: AU215111
- MoNA: AU215110
- MoNA: AU215109
- MoNA: AU215108
- MoNA: AU215107
- MoNA: CCMSLIB00000078527
- MoNA: EQ312256
- MoNA: EQ312255
- MoNA: EQ312254
- MoNA: EQ312253
- MoNA: EQ312252
- MoNA: EQ312251
- MoNA: EQ312206
- MoNA: EQ312205
- MoNA: EQ312204
- MoNA: EQ312203
- MoNA: EQ312202
- MoNA: EQ312201
- MoNA: AU215105
- MoNA: AU215104
- MoNA: AU215103
- MoNA: AU215102
- MoNA: AU215101
- PMhub: MS000002492
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 |
|---|
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] - Catarina Pereira-Leite, Cláudia Nunes, Débora Grahl, José C Bozelli, Shirley Schreier, Christina S Kamma-Lorger, Iolanda M Cuccovia, Salette Reis. Acemetacin-phosphatidylcholine interactions are determined by the drug ionization state.
Physical chemistry chemical physics : PCCP.
2018 May; 20(21):14398-14409. doi:
10.1039/c8cp01698d. [PMID: 29770409] - Liliana Zazueta-Beltrán, Lorena Medina-Aymerich, Nadia Estela Díaz-Triste, Aracely Evangelina Chávez-Piña, Gilberto Castañeda-Hernández, Leticia Cruz-Antonio. Evidence against the participation of a pharmacokinetic interaction in the protective effect of single-dose curcumin against gastrointestinal damage induced by indomethacin in rats.
Journal of integrative medicine.
2017 03; 15(2):151-157. doi:
10.1016/s2095-4964(17)60324-8. [PMID: 28285620] - Luís M Magalhães, Cláudia Nunes, Marlene Lúcio, Marcela A Segundo, Salette Reis, José L F C Lima. High-throughput microplate assay for the determination of drug partition coefficients.
Nature protocols.
2010 Nov; 5(11):1823-30. doi:
10.1038/nprot.2010.137. [PMID: 21030957] - Seung Yoon Lee, Jung Kook Suh, Jin Hwa Choi, Woo Jae Jeon, Mi Ae Cheong. Effect of ketorolac and diclofenac on the impairment of endothelium-dependent relaxation induced by reactive oxygen species in rabbit abdominal aorta.
Korean journal of anesthesiology.
2010 Sep; 59(3):196-202. doi:
10.4097/kjae.2010.59.3.196. [PMID: 20877705] - A Semalty, Mona Semalty, B S Rawat, D Singh, M S M Rawat. Development and evaluation of pharmacosomes of aceclofenac.
Indian journal of pharmaceutical sciences.
2010 Sep; 72(5):576-81. doi:
10.4103/0250-474x.78523. [PMID: 21694988] - Jean C Rousseau, Eren U Sumer, Gert Hein, Bodil C Sondergaard, Suzi H Madsen, Christian Pedersen, Thomas Neumann, Andreas Mueller, Per Qvist, Pierre Delmas, Morten A Karsdal. Patients with rheumatoid arthritis have an altered circulatory aggrecan profile.
BMC musculoskeletal disorders.
2008 May; 9(?):74. doi:
10.1186/1471-2474-9-74. [PMID: 18507823] - Marlene Lúcio, Frank Bringezu, Salette Reis, José L F C Lima, Gerald Brezesinski. Binding of nonsteroidal anti-inflammatory drugs to DPPC: structure and thermodynamic aspects.
Langmuir : the ACS journal of surfaces and colloids.
2008 Apr; 24(8):4132-9. doi:
10.1021/la703584s. [PMID: 18336047] - Song-Min Huo, Hong Yang, An-Ping Deng. Development and validation of a highly sensitive ELISA for the determination of pharmaceutical indomethacin in water samples.
Talanta.
2007 Sep; 73(2):380-6. doi:
10.1016/j.talanta.2007.03.055. [PMID: 19073043] - Wei Wei, Xiaodong Yu, Huangxin Ju. Simultaneous determination of several antalgic drugs based on their interactions with beta-cyclodextrin by capillary zone electrophoresis.
Journal of chromatographic science.
2004 Mar; 42(3):155-60. doi:
10.1093/chromsci/42.3.155. [PMID: 15023252] - Carla Matos, José L C Lima, Salette Reis, António Lopes, Margarida Bastos. Interaction of antiinflammatory drugs with EPC liposomes: calorimetric study in a broad concentration range.
Biophysical journal.
2004 Feb; 86(2):946-54. doi:
10.1016/s0006-3495(04)74170-3. [PMID: 14747330] - Tadashi Konoshita, Masahiro Kuroda, Takashi Kawane, Ichiro Koni, Isamu Miyamori, Yohei Tofuku, Hiroshi Mabuchi, Ryoyu Takeda. Treatment of congenital nephrogenic diabetes insipidus with hydrochlorothiazide and amiloride in an adult patient.
Hormone research.
2004; 61(2):63-7. doi:
10.1159/000075241. [PMID: 14646392] - H Orhan, G Sahin. In vitro effects of NSAIDS and paracetamol on oxidative stress-related parameters of human erythrocytes.
Experimental and toxicologic pathology : official journal of the Gesellschaft fur Toxikologische Pathologie.
2001 Jun; 53(2-3):133-40. doi:
10.1078/0940-2993-00179. [PMID: 11484831] - H H Maurer, F X Tauvel, T Kraemer. Screening procedure for detection of non-steroidal anti-inflammatory drugs and their metabolites in urine as part of a systematic toxicological analysis procedure for acidic drugs and poisons by gas chromatography-mass spectrometry after extractive methylation.
Journal of analytical toxicology.
2001 May; 25(4):237-44. doi:
10.1093/jat/25.4.237. [PMID: 11386636] - B de Castro, P Gameiro, J L Lima, C Matos, S Reis. A fast and reliable spectroscopic method for the determination of membrane--water partition coefficients of organic compounds.
Lipids.
2001 Jan; 36(1):89-96. doi:
10.1007/s11745-001-0673-0. [PMID: 11214736] - Y Q Hu, H C Liu, R Ma, J Wang, Y N Hou. [Determination of acemetacin and indometacin in human serum by high performance liquid chromatography].
Se pu = Chinese journal of chromatography.
1999 Nov; 17(6):586-7. doi:
NULL. [PMID: 12552700] - H Orhan, F Inanici, S Arslan, Z Hasçelik, G Sahin. In vivo effects of non-steroidal antiinflammatory drugs on oxidative stress-related parameters of human erythrocytes.
Experimental and toxicologic pathology : official journal of the Gesellschaft fur Toxikologische Pathologie.
1999 Jul; 51(4-5):403-8. doi:
10.1016/s0940-2993(99)80029-3. [PMID: 10445405] - K Nagase, N Hiwatashi, K Ito, H Maekawa, M Noguchi, Y Kinouchi, T Toyota. [Effects of NSAIDs and PGE1 analogue on the permeability of human small intestine].
Nihon Shokakibyo Gakkai zasshi = The Japanese journal of gastro-enterology.
1997 Jul; 94(7):469-74. doi:
NULL. [PMID: 9277110] - Y Ito, T Ogiso, M Iwaki, T Tanino, M Terao. Percutaneous absorption of acemetacin from a membrane controlled transdermal system and prediction of the disposition of the drug in rats.
Biological & pharmaceutical bulletin.
1993 Jun; 16(6):583-8. doi:
10.1248/bpb.16.583. [PMID: 8364511] - R W Jones, A J Collins, L J Notarianni, E Sedman. The comparative pharmacokinetics of acemetacin in young subjects and elderly patients.
British journal of clinical pharmacology.
1991 May; 31(5):543-5. doi:
10.1111/j.1365-2125.1991.tb05577.x. [PMID: 1888622] - W Kullich, G Klein. [Changes in the serum pepsinogen level during therapy with acemtacin retard as a measure of gastroduodenal tolerance].
Wiener medizinische Wochenschrift (1946).
1991; 141(15):331-5. doi:
NULL. [PMID: 1949833] - P Müller, H G Dammann, M Langer, U Leucht, B Simon. [Ranitidine ameliorates acemetacin and indomethacin-induced changes of the gastroduodenal mucosa, without modifying the pharmacokinetic behavior of both antirheumatic drugs].
Zeitschrift fur Gastroenterologie.
1989 Feb; 27(2):83-6. doi:
NULL. [PMID: 2658392] - L J Notarianni, A J Collins. Method for the determination of acemetacin, a non-steroidal anti-inflammatory drug, in plasma by high-performance liquid chromatography.
Journal of chromatography.
1987 Jan; 413(?):305-8. doi:
10.1016/0378-4347(87)80244-x. [PMID: 3558683] - G Schöllnhammer, H D Dell, K Doersing, R Kamp. Quantitative determination of acemetacin and its metabolite indometacin in blood and plasma by column liquid chromatography.
Journal of chromatography.
1986 Mar; 375(2):331-8. doi:
10.1016/s0378-4347(00)83725-1. [PMID: 3700558] - H R Ochs, U Schuppan, D J Greenblatt, D R Abernethy. Reduced distribution and clearance of acetaminophen in patients with congestive heart failure.
Journal of cardiovascular pharmacology.
1983 Jul; 5(4):697-9. doi:
10.1097/00005344-198307000-00027. [PMID: 6193370] - H D Dell, M Doersing, J Fiedler, W Fischer, H Jacobi, R Kamp. [Analytical methods and in vitro studies with acemetacin].
Arzneimittel-Forschung.
1980; 30(8A):1362-70. doi:
NULL. [PMID: 6774740] - K H Surborg. [Comparative metabolic studies on [14C]-labelled acemetacin and indometacin in rats (author's transl)].
Arzneimittel-Forschung.
1980; 30(8A):1384-91. doi:
NULL. [PMID: 7191305] - H D Dell, M Doersing, W Fischer, H Jacobi, R Kamp. [Biochemical studies on acemetacin/Experimental tests in animals (author's transl)].
Arzneimittel-Forschung.
1980; 30(8A):1371-83. doi:
NULL. [PMID: 7191304] - H D Dell, M Doersing, W Fischer, H Jacobi, R Kamp, G Köhler, G Schöllnhammer. [Metabolism and pharmacokinetics of acemetacin in man (author's transl)].
Arzneimittel-Forschung.
1980; 30(8A):1391-8. doi:
NULL. [PMID: 7191306]
