Alisertib (BioDeep_00000859045)
代谢物信息卡片
Alisertib (MLN8237)
化学式: C27H20ClFN4O4 (518.1157042)
中文名称: 阿立塞替
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC
InChI: InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
描述信息
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
同义名列表
2 个代谢物同义名
数据库引用编号
6 个数据库交叉引用编号
- ChEBI: CHEBI:125628
- KEGGdrug: D10085
- PubChem: 24771867
- DrugBank: DB05220
- ChEMBL: CHEMBL483158
- CAS: 1028486-01-2
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
- Pu Li, Tingting Chen, Peng Kuang, Fujun Liu, Zhongmin Li, Fangfang Liu, Yu Wang, Wenfeng Zhang, Xiuyu Cai. Aurora-A/FOXO3A/SKP2 axis promotes tumor progression in clear cell renal cell carcinoma and dual-targeting Aurora-A/SKP2 shows synthetic lethality.
Cell death & disease.
2022 Jul; 13(7):606. doi:
10.1038/s41419-022-04973-9. [PMID: 35831273] - Jinhua Li, Ziqi Yan, Hongmei Li, Qiong Shi, Vidhula Ahire, Shenqiu Zhang, Naganna Nimishetti, Dun Yang, Thaddeus D Allen, Jing Zhang. The Phytochemical Scoulerine Inhibits Aurora Kinase Activity to Induce Mitotic and Cytokinetic Defects.
Journal of natural products.
2021 08; 84(8):2312-2320. doi:
10.1021/acs.jnatprod.1c00429. [PMID: 34406008] - Jing Han, Xin Chen, Jiawei Xu, Laili Chu, Rongqing Li, Na Sun, Zhen Jiang, Hongyang Liu, Xing Ge, Junnian Zheng, Jing Yang, Takayuki Ikezoe. Simultaneous silencing Aurora-A and UHRF1 inhibits colorectal cancer cell growth through regulating expression of DNMT1 and STAT1.
International journal of medical sciences.
2021; 18(15):3437-3451. doi:
10.7150/ijms.61969. [PMID: 34522170] - Sandeepraj Pusalkar, Xiaofei Zhou, Yuexian Li, Lawrence Cohen, Jun Johnny Yang, Suresh K Balani, Cindy Xia, Wen Chyi Shyu, Chuang Lu, Karthik Venkatakrishnan, Swapan K Chowdhury. Biotransformation Pathways and Metabolite Profiles of Oral [14C]Alisertib (MLN8237), an Investigational Aurora A Kinase Inhibitor, in Patients with Advanced Solid Tumors.
Drug metabolism and disposition: the biological fate of chemicals.
2020 03; 48(3):217-229. doi:
10.1124/dmd.119.087338. [PMID: 31911485] - Xiaofei Zhou, A Craig Lockhart, Siqing Fu, John Nemunaitis, John Sarantopoulos, Andreas Muehler, Lakshmi Rangachari, Michael Bargfrede, Karthik Venkatakrishnan. Pharmacokinetics of the Investigational Aurora A Kinase Inhibitor Alisertib in Adult Patients With Advanced Solid Tumors or Relapsed/Refractory Lymphoma With Varying Degrees of Hepatic Dysfunction.
Journal of clinical pharmacology.
2019 09; 59(9):1204-1215. doi:
10.1002/jcph.1416. [PMID: 30985952] - Xiaofei Zhou, Sandeepraj Pusalkar, Swapan K Chowdhury, Shawn Searle, Yuexian Li, Claudio Dansky Ullmann, Karthik Venkatakrishnan. Mass balance, routes of excretion, and pharmacokinetics of investigational oral [14C]-alisertib (MLN8237), an Aurora A kinase inhibitor in patients with advanced solid tumors.
Investigational new drugs.
2019 08; 37(4):666-673. doi:
10.1007/s10637-018-0693-7. [PMID: 30397836] - Yael P Mossé, Elizabeth Fox, David T Teachey, Joel M Reid, Stephanie L Safgren, Hernan Carol, Richard B Lock, Peter J Houghton, Malcolm A Smith, David Hall, Donald A Barkauskas, Mark Krailo, Stephan D Voss, Stacey L Berg, Susan M Blaney, Brenda J Weigel. A Phase II Study of Alisertib in Children with Recurrent/Refractory Solid Tumors or Leukemia: Children's Oncology Group Phase I and Pilot Consortium (ADVL0921).
Clinical cancer research : an official journal of the American Association for Cancer Research.
2019 06; 25(11):3229-3238. doi:
10.1158/1078-0432.ccr-18-2675. [PMID: 30777875] - Hayley J Donnella, James T Webber, Rebecca S Levin, Roman Camarda, Olga Momcilovic, Nora Bayani, Khyati N Shah, James E Korkola, Kevan M Shokat, Andrei Goga, John D Gordan, Sourav Bandyopadhyay. Kinome rewiring reveals AURKA limits PI3K-pathway inhibitor efficacy in breast cancer.
Nature chemical biology.
2018 08; 14(8):768-777. doi:
10.1038/s41589-018-0081-9. [PMID: 29942081] - Xiao-Fei Ding, Jun Zhou, Guang Chen, Ying-Liang Wu. VHL loss predicts response to Aurora kinase A inhibitor in renal cell carcinoma cells.
Molecular medicine reports.
2018 Jul; 18(1):1206-1210. doi:
10.3892/mmr.2018.9038. [PMID: 29845253] - Nicole DeVaul, Katerina Koloustroubis, Rong Wang, Ann O Sperry. A novel interaction between kinase activities in regulation of cilia formation.
BMC cell biology.
2017 Nov; 18(1):33. doi:
10.1186/s12860-017-0149-5. [PMID: 29141582] - Hongqin Yang, Jiuyang Liu, Yanmei Huang, Rui Gao, Bin Tang, Shanshan Li, Jiawei He, Hui Li. Domain-specific interactions between MLN8237 and human serum albumin estimated by STD and WaterLOGSY NMR, ITC, spectroscopic, and docking techniques.
Scientific reports.
2017 03; 7(?):45514. doi:
10.1038/srep45514. [PMID: 28358124] - Chun-Xiu Yuan, Zhi-Wei Zhou, Yin-Xue Yang, Zhi-Xu He, Xueji Zhang, Dong Wang, Tianxing Yang, Ning-Ju Wang, Ruan Jin Zhao, Shu-Feng Zhou. Inhibition of mitotic Aurora kinase A by alisertib induces apoptosis and autophagy of human gastric cancer AGS and NCI-N78 cells.
Drug design, development and therapy.
2015; 9(?):487-508. doi:
10.2147/dddt.s74127. [PMID: 25609923] - Gerald Falchook, Razelle Kurzrock, Launce Gouw, David Hong, Kimberly A McGregor, Xiaofei Zhou, Hongliang Shi, Howard Fingert, Sunil Sharma. Investigational Aurora A kinase inhibitor alisertib (MLN8237) as an enteric-coated tablet formulation in non-hematologic malignancies: phase 1 dose-escalation study.
Investigational new drugs.
2014 Dec; 32(6):1181-7. doi:
10.1007/s10637-014-0121-6. [PMID: 24879333] - Jessica J Huck, Mengkun Zhang, Jerome Mettetal, Arijit Chakravarty, Karthik Venkatakrishnan, Xiaofei Zhou, Rob Kleinfield, Marc L Hyer, Karuppiah Kannan, Vaishali Shinde, Andy Dorner, Mark G Manfredi, Wen Chyi Shyu, Jeffrey A Ecsedy. Translational exposure-efficacy modeling to optimize the dose and schedule of taxanes combined with the investigational Aurora A kinase inhibitor MLN8237 (alisertib).
Molecular cancer therapeutics.
2014 Sep; 13(9):2170-83. doi:
10.1158/1535-7163.mct-14-0027. [PMID: 24980948] - Johnny J Yang, Yu Li, Arijit Chakravarty, Chuang Lu, Cindy Q Xia, Susan Chen, Sandeep Pusalkar, Mengkun Zhang, Jeffrey Ecsedy, Mark G Manfredi, Jing-Tao Wu, Wen Chyi Shyu, Suresh K Balani. Preclinical drug metabolism and pharmacokinetics, and prediction of human pharmacokinetics and efficacious dose of the investigational Aurora A kinase inhibitor alisertib (MLN8237).
Drug metabolism letters.
2014 Jul; 7(2):96-104. doi:
10.2174/1872312807666131229122359. [PMID: 24484538] - Andres Cervantes, Elena Elez, Desamparados Roda, Jeffrey Ecsedy, Teresa Macarulla, Karthik Venkatakrishnan, Susana Roselló, Jordi Andreu, Jungah Jung, Juan Manuel Sanchis-Garcia, Adelaida Piera, Inma Blasco, Laura Maños, José-Alejandro Pérez-Fidalgo, Howard Fingert, Jose Baselga, Josep Tabernero. Phase I pharmacokinetic/pharmacodynamic study of MLN8237, an investigational, oral, selective aurora a kinase inhibitor, in patients with advanced solid tumors.
Clinical cancer research : an official journal of the American Association for Cancer Research.
2012 Sep; 18(17):4764-74. doi:
10.1158/1078-0432.ccr-12-0571. [PMID: 22753585] - E Claire Dees, Roger B Cohen, Margaret von Mehren, Thomas E Stinchcombe, Hua Liu, Karthik Venkatakrishnan, Mark Manfredi, Howard Fingert, Howard A Burris, Jeffrey R Infante. Phase I study of aurora A kinase inhibitor MLN8237 in advanced solid tumors: safety, pharmacokinetics, pharmacodynamics, and bioavailability of two oral formulations.
Clinical cancer research : an official journal of the American Association for Cancer Research.
2012 Sep; 18(17):4775-84. doi:
10.1158/1078-0432.ccr-12-0589. [PMID: 22767670] - Emily Lipsitz, Ganesh Moorthy, Yael Mosse, Elizabeth Fox, Peter C Adamson. A sensitive and selective liquid chromatography/tandem mass spectrometry method for determination of MLN8237 in human plasma.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2010 Sep; 878(25):2369-73. doi:
10.1016/j.jchromb.2010.06.037. [PMID: 20685183]