Rociletinib (BioDeep_00000182999)

   

human metabolite blood metabolite


代谢物信息卡片


N-{3-[(2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)-3,4-dihydropyrimidin-4-ylidene)amino]phenyl}prop-2-enimidate

化学式: C27H28F3N7O3 (555.2205614000001)
中文名称: 罗西替尼
谱图信息: 最多检出来源 Homo sapiens(blood) 97.83%

分子结构信息

SMILES: CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC
InChI: InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)

描述信息

L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

同义名列表

5 个代谢物同义名

N-{3-[(2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)-3,4-dihydropyrimidin-4-ylidene)amino]phenyl}prop-2-enimidate; N-{3-[(2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl)amino]phenyl}prop-2-enamide; CO-1686ROCILETINIB; CO-1686(AVL-301); Rociletinib



数据库引用编号

7 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

  • Elena Helman, Minh Nguyen, Chris A Karlovich, Darrin Despain, A Karin Choquette, Alexander I Spira, Helena A Yu, D Ross Camidge, Thomas C Harding, Richard B Lanman, Andrew D Simmons. Cell-Free DNA Next-Generation Sequencing Prediction of Response and Resistance to Third-Generation EGFR Inhibitor. Clinical lung cancer. 2018 11; 19(6):518-530.e7. doi: 10.1016/j.cllc.2018.07.008. [PMID: 30279111]
  • A K Krug, D Enderle, C Karlovich, T Priewasser, S Bentink, A Spiel, K Brinkmann, J Emenegger, D G Grimm, E Castellanos-Rizaldos, J W Goldman, L V Sequist, J-C Soria, D R Camidge, S M Gadgeel, H A Wakelee, M Raponi, M Noerholm, J Skog. Improved EGFR mutation detection using combined exosomal RNA and circulating tumor DNA in NSCLC patient plasma. Annals of oncology : official journal of the European Society for Medical Oncology. 2018 03; 29(3):700-706. doi: 10.1093/annonc/mdx765. [PMID: 29216356]
  • Lei Yu, Minhao Huang, Tianfeng Xu, Linjiang Tong, Xiao-E Yan, Zhang Zhang, Yong Xu, Caihong Yun, Hua Xie, Ke Ding, Xiaoyun Lu. A structure-guided optimization of pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of EGFRL858R/T790M mutant with improved pharmacokinetic properties. European journal of medicinal chemistry. 2017 Jan; 126(?):1107-1117. doi: 10.1016/j.ejmech.2016.12.006. [PMID: 28033579]
  • Peter Ballard, James W T Yates, Zhenfan Yang, Dong-Wan Kim, James Chih-Hsin Yang, Mireille Cantarini, Kathryn Pickup, Angela Jordan, Mike Hickey, Matthew Grist, Matthew Box, Peter Johnström, Katarina Varnäs, Jonas Malmquist, Kenneth S Thress, Pasi A Jänne, Darren Cross. Preclinical Comparison of Osimertinib with Other EGFR-TKIs in EGFR-Mutant NSCLC Brain Metastases Models, and Early Evidence of Clinical Brain Metastases Activity. Clinical cancer research : an official journal of the American Association for Cancer Research. 2016 Oct; 22(20):5130-5140. doi: 10.1158/1078-0432.ccr-16-0399. [PMID: 27435396]
  • Chris Karlovich, Jonathan W Goldman, Jong-Mu Sun, Elaina Mann, Lecia V Sequist, Krzysztof Konopa, Wei Wen, Philipp Angenendt, Leora Horn, David Spigel, Jean-Charles Soria, Benjamin Solomon, D Ross Camidge, Shirish Gadgeel, Cloud Paweletz, Lin Wu, Sean Chien, Patrick O'Donnell, Shannon Matheny, Darrin Despain, Lindsey Rolfe, Mitch Raponi, Andrew R Allen, Keunchil Park, Heather Wakelee. Assessment of EGFR Mutation Status in Matched Plasma and Tumor Tissue of NSCLC Patients from a Phase I Study of Rociletinib (CO-1686). Clinical cancer research : an official journal of the American Association for Cancer Research. 2016 05; 22(10):2386-95. doi: 10.1158/1078-0432.ccr-15-1260. [PMID: 26747242]
  • Jody C Chuang, Ameen A Salahudeen, Heather A Wakelee. Rociletinib, a third generation EGFR tyrosine kinase inhibitor: current data and future directions. Expert opinion on pharmacotherapy. 2016; 17(7):989-93. doi: 10.1517/14656566.2016.1162786. [PMID: 26950414]
  • Zofia Piotrowska, Matthew J Niederst, Chris A Karlovich, Heather A Wakelee, Joel W Neal, Mari Mino-Kenudson, Linnea Fulton, Aaron N Hata, Elizabeth L Lockerman, Anuj Kalsy, Subba Digumarthy, Alona Muzikansky, Mitch Raponi, Angel R Garcia, Hillary E Mulvey, Melissa K Parks, Richard H DiCecca, Dora Dias-Santagata, A John Iafrate, Alice T Shaw, Andrew R Allen, Jeffrey A Engelman, Lecia V Sequist. Heterogeneity Underlies the Emergence of EGFRT790 Wild-Type Clones Following Treatment of T790M-Positive Cancers with a Third-Generation EGFR Inhibitor. Cancer discovery. 2015 Jul; 5(7):713-22. doi: 10.1158/2159-8290.cd-15-0399. [PMID: 25934077]