Adavosertib (BioDeep_00000181003)

   

human metabolite blood metabolite


代谢物信息卡片


1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1H,2H,3H-pyrazolo[3,4-d]pyrimidin-3-one

化学式: C27H32N8O2 (500.26480919999995)
中文名称: 2-烯丙基-1-(6-(2-羟基丙烷-2-基)吡啶-2-基)-6-(4-(4-甲基哌嗪-1-基)苯基氨基)-1h-吡唑并[3,4-d]嘧啶-3(2h)-酮
谱图信息: 最多检出来源 Homo sapiens(blood) 7.69%

分子结构信息

SMILES: CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O
InChI: InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)

描述信息

C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
D004791 - Enzyme Inhibitors

同义名列表

5 个代谢物同义名

1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1H,2H,3H-pyrazolo[3,4-d]pyrimidin-3-one; 2-Allyl-1-(6-(2-hydroxy-2-propanyl)-2-pyridinyl)-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-1,2-dihydro-3H-pyrazolo(3,4-D)pyrimidin-3-one; 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one; Adavosertib; MK-1775



数据库引用编号

8 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

  • Naoko Takebe, Abdul Rafeh Naqash, Geraldine O'Sullivan Coyne, Shivaani Kummar, Khanh Do, Ashley Bruns, Lamin Juwara, Jennifer Zlott, Larry Rubinstein, Richard Piekarz, Elad Sharon, Howard Streicher, Arjun Mittra, Sarah B Miller, Jiuping Ji, Deborah Wilsker, Robert J Kinders, Ralph E Parchment, Li Chen, Ting-Chia Chang, Biswajit Das, Ganesh Mugundu, James H Doroshow, Alice P Chen. Safety, Antitumor Activity, and Biomarker Analysis in a Phase I Trial of the Once-daily Wee1 Inhibitor Adavosertib (AZD1775) in Patients with Advanced Solid Tumors. Clinical cancer research : an official journal of the American Association for Cancer Research. 2021 07; 27(14):3834-3844. doi: 10.1158/1078-0432.ccr-21-0329. [PMID: 33863809]
  • Long Liang, Yanjuan He, Haiqin Wang, Hui Zhou, Ling Xiao, Mao Ye, Yijin Kuang, Saiqun Luo, Yuna Zuo, Peifu Feng, Chaoying Yang, Wenjie Cao, Taohua Liu, Mridul Roy, Xiaojuan Xiao, Jing Liu. The Wee1 kinase inhibitor MK1775 suppresses cell growth, attenuates stemness and synergises with bortezomib in multiple myeloma. British journal of haematology. 2020 10; 191(1):62-76. doi: 10.1111/bjh.16614. [PMID: 32314355]
  • Mats Någård, Mei-Lin Ah-See, Karen So, Marit Vermunt, Fiona Thistlethwaite, Mariette Labots, Patricia Roxburgh, Alain Ravaud, Mario Campone, Liselot Valkenburg-van Iersel, Lone Ottesen, Yan Li, Ganesh Mugundu. Effect of food on the pharmacokinetics of the WEE1 inhibitor adavosertib (AZD1775) in patients with advanced solid tumors. Cancer chemotherapy and pharmacology. 2020 07; 86(1):97-108. doi: 10.1007/s00280-020-04101-4. [PMID: 32556602]
  • E Anders Kolb, Peter J Houghton, Raushan T Kurmasheva, Yael P Mosse, John M Maris, Stephen W Erickson, Yuelong Guo, Beverly A Teicher, Malcolm A Smith, Richard Gorlick. Preclinical evaluation of the combination of AZD1775 and irinotecan against selected pediatric solid tumors: A Pediatric Preclinical Testing Consortium report. Pediatric blood & cancer. 2020 05; 67(5):e28098. doi: 10.1002/pbc.28098. [PMID: 31975571]
  • Yaping Li, Dong-Mei Wu, Ling-Mei Kong, Shuqun Zhang, Haibo Du, Wei Sun, Li Zhang, Yan Li, Zhili Zuo. Ensemble docking-based virtual screening toward identifying inhibitors against Wee1 kinase. Future medicinal chemistry. 2019 08; 11(15):1889-1906. doi: 10.4155/fmc-2019-0022. [PMID: 31517534]
  • Nader Sanai, Jing Li, Julie Boerner, Karri Stark, Jianmei Wu, Seongho Kim, Alanna Derogatis, Shwetal Mehta, Harshil D Dhruv, Lance K Heilbrun, Michael E Berens, Patricia M LoRusso. Phase 0 Trial of AZD1775 in First-Recurrence Glioblastoma Patients. Clinical cancer research : an official journal of the American Association for Cancer Research. 2018 08; 24(16):3820-3828. doi: 10.1158/1078-0432.ccr-17-3348. [PMID: 29798906]
  • Mark C de Gooijer, Levi C M Buil, Jos H Beijnen, Olaf van Tellingen. ATP-binding cassette transporters limit the brain penetration of Wee1 inhibitors. Investigational new drugs. 2018 06; 36(3):380-387. doi: 10.1007/s10637-017-0539-8. [PMID: 29147815]
  • Jing Li, Jianmei Wu, Xun Bao, Norissa Honea, Youming Xie, Seongho Kim, Alex Sparreboom, Nader Sanai. Quantitative and Mechanistic Understanding of AZD1775 Penetration across Human Blood-Brain Barrier in Glioblastoma Patients Using an IVIVE-PBPK Modeling Approach. Clinical cancer research : an official journal of the American Association for Cancer Research. 2017 Dec; 23(24):7454-7466. doi: 10.1158/1078-0432.ccr-17-0983. [PMID: 28928160]
  • Kareem Ebeid, Giang N Ho, Aliasger K Salem. HPLC-UV method for simultaneous determination of MK-1775 and AZD-7762 in both acetonitrile-aqueous solution and mouse plasma. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2017 Feb; 1044-1045(?):70-76. doi: 10.1016/j.jchromb.2016.12.031. [PMID: 28088043]
  • Jianmei Wu, Nader Sanai, Xun Bao, Patricia LoRusso, Jing Li. An aqueous normal-phase chromatography coupled with tandem mass spectrometry method for determining unbound brain-to-plasma concentration ratio of AZD1775, a Wee1 kinase inhibitor, in patients with glioblastoma. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2016 Aug; 1028(?):25-32. doi: 10.1016/j.jchromb.2016.05.050. [PMID: 27318641]
  • Yang Xu, Wei Fang, Wei Zeng, Suzanne Leijen, Eric J Woolf. Evaluation of dried blood spot (DBS) technology versus plasma analysis for the determination of MK-1775 by HILIC-MS/MS in support of clinical studies. Analytical and bioanalytical chemistry. 2012 Dec; 404(10):3037-48. doi: 10.1007/s00216-012-6440-6. [PMID: 23099526]