Dehydroaripiprazole (BioDeep_00000016980)
代谢物信息卡片
7-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)quinolin-2(1H)-one
化学式: C23H25Cl2N3O2 (445.1324)
中文名称: 7-[4-[4-(2,3-二氯苯基)-1-哌嗪基]丁氧基]-2(1H)-喹啉酮
谱图信息:
最多检出来源 Chinese Herbal Medicine(not specific) 50%
分子结构信息
SMILES: C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C(C(=CC=C4)Cl)Cl
InChI: InChI=1S/C23H25Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-9,16H,1-2,10-15H2,(H,26,29)
描述信息
Dehydroaripiprazole (OPC-14857) is an active metabolite of Aripiprazole. Aripiprazole is an antipsychotic agent and is metabolized by CYP3A4 and CYP2D6 forming mainly Dehydroaripiprazole. Dehydroaripiprazole has with antipsychotic activity equivalent to Aripiprazole[1][2][3].
同义名列表
数据库引用编号
6 个数据库交叉引用编号
- KEGG: C72190
- PubChem: 10114519
- ChEMBL: CHEMBL161792
- CAS: 129722-25-4
- PMhub: MS000002448
- medchemexpress: HY-100665
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
2 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(0)
Plant Reactome(0)
INOH(0)
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(1)
- Aripiprazole Pathway, Pharmacokinetics:
N-hydroxymethyl aripiprazole ⟶ aripiprazole + formaldehyde
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 |
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文献列表
- Lisa Alina Kneller, Pablo Zubiaur, Dora Koller, Francisco Abad-Santos, Georg Hempel. Influence of CYP2D6 Phenotypes on the Pharmacokinetics of Aripiprazole and Dehydro-Aripiprazole Using a Physiologically Based Pharmacokinetic Approach.
Clinical pharmacokinetics.
2021 12; 60(12):1569-1582. doi:
10.1007/s40262-021-01041-x. [PMID: 34125422] - Dora Koller, Carmen Belmonte, Miriam Saiz-Rodríguez, Pablo Zubiaur, Manuel Román, Dolores Ochoa, Francisco Abad-Santos. Effects of aripiprazole on circadian prolactin secretion related to pharmacogenetics in healthy volunteers.
Basic & clinical pharmacology & toxicology.
2020 Mar; 126(3):236-246. doi:
10.1111/bcpt.13323. [PMID: 31520576] - Marit Tveito, Espen Molden, Gudrun Høiseth, Christoph U Correll, Robert Løvsletten Smith. Impact of age and CYP2D6 genetics on exposure of aripiprazole and dehydroaripiprazole in patients using long-acting injectable versus oral formulation: relevance of poor and intermediate metabolizer status.
European journal of clinical pharmacology.
2020 Jan; 76(1):41-49. doi:
10.1007/s00228-019-02768-0. [PMID: 31637453] - Aneta Wojnicz, Carmen Belmonte, Dora Koller, Ana Ruiz-Nuño, Manuel Román, Dolores Ochoa, Francisco Abad-Santos. Effective phospholipids removing microelution-solid phase extraction LC-MS/MS method for simultaneous plasma quantification of aripiprazole and dehydro-aripiprazole: Application to human pharmacokinetic studies.
Journal of pharmaceutical and biomedical analysis.
2018 Mar; 151(?):116-125. doi:
10.1016/j.jpba.2017.12.049. [PMID: 29324280] - Dorota Marszalek, Anna Goldnik, Tomasz Pawinski, Grzegorz Malek, Aleksander Somogi, Anna Mach. SIMULTANEOUS ASSAY OF ARIPIPRAZOLE AND ITS ACTIVE METABOLITE IN SERUM BY HPLC.
Acta poloniae pharmaceutica.
2017 Mar; 74(2):405-411. doi:
NULL. [PMID: 29624246] - Goyo Nagai, Kazuo Mihara, Akifumi Nakamura, Kenji Nemoto, Shoko Kagawa, Takeshi Suzuki, Tsuyoshi Kondo. Prediction of an Optimal Dose of Aripiprazole in the Treatment of Schizophrenia From Plasma Concentrations of Aripiprazole Plus Its Active Metabolite Dehydroaripiprazole at Week 1.
Therapeutic drug monitoring.
2017 02; 39(1):62-65. doi:
10.1097/ftd.0000000000000358. [PMID: 27861318] - M Darwish, M Bond, R Yang, E T Hellriegel, P Robertson. Evaluation of Potential Pharmacokinetic Drug-Drug Interaction between Armodafinil and Aripiprazole in Healthy Adults.
Pharmacopsychiatry.
2015 Jul; 48(4-5):170-5. doi:
10.1055/s-0035-1554671. [PMID: 26181194] - Joseph McEvoy, Robert A Millet, Kenneth Dretchen, Ayodele A Morris, Michael J Corwin, Peter Buckley. Quantitative levels of aripiprazole parent drug and metabolites in urine.
Psychopharmacology.
2014 Dec; 231(23):4421-8. doi:
10.1007/s00213-014-3781-1. [PMID: 25345737] - Takeshi Suzuki, Kazuo Mihara, Akifumi Nakamura, Shoko Kagawa, Goyo Nagai, Kenji Nemoto, Tsuyoshi Kondo. Effects of genetic polymorphisms of CYP2D6, CYP3A5, and ABCB1 on the steady-state plasma concentrations of aripiprazole and its active metabolite, dehydroaripiprazole, in Japanese patients with schizophrenia.
Therapeutic drug monitoring.
2014 Oct; 36(5):651-5. doi:
10.1097/ftd.0000000000000070. [PMID: 24682161] - Yasuhisa Nagasaka, Tomokazu Sano, Kazuo Oda, Akio Kawamura, Takashi Usui. Impact of genetic deficiencies of P-glycoprotein and breast cancer resistance protein on pharmacokinetics of aripiprazole and dehydroaripiprazole.
Xenobiotica; the fate of foreign compounds in biological systems.
2014 Oct; 44(10):926-32. doi:
10.3109/00498254.2014.901585. [PMID: 24666334] - K Nemoto, K Mihara, A Nakamura, G Nagai, S Kagawa, T Suzuki, T Kondo. Effects of escitalopram on plasma concentrations of aripiprazole and its active metabolite, dehydroaripiprazole, in Japanese patients.
Pharmacopsychiatry.
2014 May; 47(3):101-4. doi:
10.1055/s-0034-1372644. [PMID: 24764200] - Danielle S Fisher, Suzanne J Partridge, Simon A Handley, Robert J Flanagan. Stability of some atypical antipsychotics in human plasma, haemolysed whole blood, oral fluid, human serum and calf serum.
Forensic science international.
2013 Jun; 229(1-3):151-6. doi:
10.1016/j.forsciint.2013.03.021. [PMID: 23570966] - Danielle S Fisher, Suzanne J Partridge, Simon A Handley, Lewis Couchman, Phillip E Morgan, Robert J Flanagan. LC-MS/MS of some atypical antipsychotics in human plasma, serum, oral fluid and haemolysed whole blood.
Forensic science international.
2013 Jun; 229(1-3):145-50. doi:
10.1016/j.forsciint.2013.02.010. [PMID: 23477803] - Sergio De Filippis, Ilaria Cuomo, Luana Lionetto, Delfina Janiri, Maurizio Simmaco, Matteo Caloro, Simone De Persis, Gioia Piazzi, Alessio Simonetti, C Ludovica Telesforo, Antonio Sciarretta, Federica Caccia, Giovanna Gentile, Georgios D Kotzalidis, Paolo Girardi. Intramuscular aripiprazole in the acute management of psychomotor agitation.
Pharmacotherapy.
2013 Jun; 33(6):603-14. doi:
10.1002/phar.1260. [PMID: 23505124] - Kenji Nemoto, Kazuo Mihara, Akifumi Nakamura, Goyo Nagai, Shoko Kagawa, Takeshi Suzuki, Tsuyoshi Kondo. Effects of paroxetine on plasma concentrations of aripiprazole and its active metabolite, dehydroaripiprazole, in Japanese patients with schizophrenia.
Therapeutic drug monitoring.
2012 Apr; 34(2):188-92. doi:
10.1097/ftd.0b013e31824a31e6. [PMID: 22377745] - Junichi Azuma, Tomoko Hasunuma, Masanori Kubo, Masaya Miyatake, Toshiko Koue, Koushi Higashi, Tsutomu Fujiwara, Sachiko Kitahara, Tamiki Katano, Sumiko Hara. The relationship between clinical pharmacokinetics of aripiprazole and CYP2D6 genetic polymorphism: effects of CYP enzyme inhibition by coadministration of paroxetine or fluvoxamine.
European journal of clinical pharmacology.
2012 Jan; 68(1):29-37. doi:
10.1007/s00228-011-1094-4. [PMID: 21739267] - Pedro Dorado, Fernando de Andrés, María Eugenia G Naranjo, Eva M Peñas-Lledó, Idilio González, Antonio P González, Alfredo de la Rubia, Adrián Llerena. High-performance liquid chromatography method using ultraviolet detection for the quantification of aripiprazole and dehydroaripiprazole in psychiatric patients.
Drug metabolism and drug interactions.
2012; 27(3):165-70. doi:
10.1515/dmdi-2012-0016. [PMID: 23089607] - Shih-Ku Lin, Chih-Ken Chen, Yu-Li Liu. Aripiprazole and dehydroaripiprazole plasma concentrations and clinical responses in patients with schizophrenia.
Journal of clinical psychopharmacology.
2011 Dec; 31(6):758-62. doi:
10.1097/jcp.0b013e3182356255. [PMID: 22020350] - Takeshi Suzuki, Kazuo Mihara, Akifumi Nakamura, Goyo Nagai, Shoko Kagawa, Kenji Nemoto, Ikuya Ohta, Hajime Arakaki, Tsukasa Uno, Tsuyoshi Kondo. Effects of the CYP2D6*10 allele on the steady-state plasma concentrations of aripiprazole and its active metabolite, dehydroaripiprazole, in Japanese patients with schizophrenia.
Therapeutic drug monitoring.
2011 Feb; 33(1):21-4. doi:
10.1097/ftd.0b013e3182031021. [PMID: 21157400] - Yumiko Akamine, Norio Yasui-Furukori, Midori Kojima, Yoshimasa Inoue, Tsukasa Uno. A sensitive column-switching HPLC method for aripiprazole and dehydroaripiprazole and its application to human pharmacokinetic studies.
Journal of separation science.
2010 Nov; 33(21):3292-8. doi:
10.1002/jssc.201000457. [PMID: 21049519] - Pei-Lin Hwang, Shao-Yun Wei, Hsin-Hua Yeh, Ju-Yun Ko, Cheng-Chen Chang, Su-Hwei Chen. Simultaneous determination of aripiprazole and its active metabolite, dehydroaripiprazole, in plasma by capillary electrophoresis combining on-column field-amplified sample injection and application in schizophrenia.
Electrophoresis.
2010 Aug; 31(16):2778-86. doi:
10.1002/elps.201000237. [PMID: 20665528] - Ragnhild Birkeland Waade, Hege Christensen, Ida Rudberg, Helge Refsum, Monica Hermann. Influence of comedication on serum concentrations of aripiprazole and dehydroaripiprazole.
Therapeutic drug monitoring.
2009 Apr; 31(2):233-8. doi:
10.1097/ftd.0b013e3181956726. [PMID: 19142178] - Min Song, Xinxin Xu, Taijun Hang, Aidong Wen, Lin Yang. Development of an LC-MS/MS method for the simultaneous quantification of aripiprazole and dehydroaripiprazole in human plasma.
Analytical biochemistry.
2009 Feb; 385(2):270-7. doi:
10.1016/j.ab.2008.11.027. [PMID: 19070586] - Jung-Ryul Kim, Hyo-Bum Seo, Joo-Youn Cho, Do-Hyung Kang, Yong Ku Kim, Won-Myong Bahk, Kyung-Sang Yu, Sang-Goo Shin, Jun Soo Kwon, In-Jin Jang. Population pharmacokinetic modelling of aripiprazole and its active metabolite, dehydroaripiprazole, in psychiatric patients.
British journal of clinical pharmacology.
2008 Dec; 66(6):802-10. doi:
10.1111/j.1365-2125.2008.03223.x. [PMID: 19032724] - Christian J Bachmann, Anette Rieger-Gies, Monika Heinzel-Gutenbrunner, Christoph Hiemke, Helmut Remschmidt, Frank M Theisen. Large variability of aripiprazole and dehydroaripiprazole serum concentrations in adolescent patients with schizophrenia.
Therapeutic drug monitoring.
2008 Aug; 30(4):462-6. doi:
10.1097/ftd.0b013e318178e18d. [PMID: 18641558] - Frédérique Lancelin, Kayssa Djebrani, Khalid Tabaouti, Linda Kraoul, Sophie Brovedani, Pascal Paubel, Marie-Liesse Piketty. Development and validation of a high-performance liquid chromatography method using diode array detection for the simultaneous quantification of aripiprazole and dehydro-aripiprazole in human plasma.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2008 May; 867(1):15-9. doi:
10.1016/j.jchromb.2008.02.026. [PMID: 18356121] - Katrin M Kirschbaum, Matthias J Müller, Jaroslav Malevani, Arian Mobascher, Carsten Burchardt, Markus Piel, Christoph Hiemke. Serum levels of aripiprazole and dehydroaripiprazole, clinical response and side effects.
The world journal of biological psychiatry : the official journal of the World Federation of Societies of Biological Psychiatry.
2008; 9(3):212-8. doi:
10.1080/15622970701361255. [PMID: 17853280] - Magnhild Hendset, Monica Hermann, Hilde Lunde, Helge Refsum, Espen Molden. Impact of the CYP2D6 genotype on steady-state serum concentrations of aripiprazole and dehydroaripiprazole.
European journal of clinical pharmacology.
2007 Dec; 63(12):1147-51. doi:
10.1007/s00228-007-0373-6. [PMID: 17828532] - Hui-Ching Huang, Chin-Hung Liu, Tsuo-Hung Lan, Tsung-Ming Hu, Hsien-Jane Chiu, Yu-Chun Wu, Ying Lung Tseng. Detection and quantification of aripiprazole and its metabolite, dehydroaripiprazole, by gas chromatography-mass spectrometry in blood samples of psychiatric patients.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2007 Sep; 856(1-2):57-61. doi:
10.1016/j.jchromb.2007.05.026. [PMID: 17602901] - Espen Molden, Hilde Lunde, Niclas Lunder, Helge Refsum. Pharmacokinetic variability of aripiprazole and the active metabolite dehydroaripiprazole in psychiatric patients.
Therapeutic drug monitoring.
2006 Dec; 28(6):744-9. doi:
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