2-((2-Bromoethyl)(2,4-dinitro-6-((2-(phosphonooxy)ethyl)carbamoyl)phenyl)amino)ethyl methanesulfonate (BioDeep_00000838171)
代谢物信息卡片
化学式: C14H20BrN4O12PS (577.971939)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CS(=O)(=O)OCCN(CCBr)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCOP(=O)(O)O
InChI: InChI=1S/C14H20BrN4O12PS/c1-33(28,29)31-7-5-17(4-2-15)13-11(14(20)16-3-6-30-32(25,26)27)8-10(18(21)22)9-12(13)19(23)24/h8-9H,2-7H2,1H3,(H,16,20)(H2,25,26,27)
描述信息
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
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相关代谢途径
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代谢反应
0 个相关的代谢反应过程信息。
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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
- Mark J McKeage, Michael B Jameson, Ramesh K Ramanathan, Joseph Rajendran, Yongchuan Gu, William R Wilson, Teresa J Melink, N Simon Tchekmedyian. PR-104 a bioreductive pre-prodrug combined with gemcitabine or docetaxel in a phase Ib study of patients with advanced solid tumours.
BMC cancer.
2012 Oct; 12(?):496. doi:
10.1186/1471-2407-12-496. [PMID: 23098625] - Mark J McKeage, Yongchuan Gu, William R Wilson, Andrew Hill, Karen Amies, Teresa J Melink, Michael B Jameson. A phase I trial of PR-104, a pre-prodrug of the bioreductive prodrug PR-104A, given weekly to solid tumour patients.
BMC cancer.
2011 Oct; 11(?):432. doi:
10.1186/1471-2407-11-432. [PMID: 21982454] - Peter J Houghton, Richard Lock, Hernan Carol, Christopher L Morton, Doris Phelps, Richard Gorlick, E Anders Kolb, Stephen T Keir, C Patrick Reynolds, Min H Kang, John M Maris, Amy W Wozniak, Yongchuan Gu, William R Wilson, Malcolm A Smith. Initial testing of the hypoxia-activated prodrug PR-104 by the pediatric preclinical testing program.
Pediatric blood & cancer.
2011 Sep; 57(3):443-53. doi:
10.1002/pbc.22921. [PMID: 21744473] - Ghassan K Abou-Alfa, Stephan L Chan, Chia-Chi Lin, E Gabriela Chiorean, Randall F Holcombe, Mary F Mulcahy, William D Carter, Kashyap Patel, William R Wilson, Teresa J Melink, John C Gutheil, Chao-Jung Tsao. PR-104 plus sorafenib in patients with advanced hepatocellular carcinoma.
Cancer chemotherapy and pharmacology.
2011 Aug; 68(2):539-45. doi:
10.1007/s00280-011-1671-3. [PMID: 21594722] - Yongchuan Gu, Malcolm D Tingle, William R Wilson. Glucuronidation of anticancer prodrug PR-104A: species differences, identification of human UDP-glucuronosyltransferases, and implications for therapy.
The Journal of pharmacology and experimental therapeutics.
2011 Jun; 337(3):692-702. doi:
10.1124/jpet.111.180703. [PMID: 21427202] - Yongchuan Gu, Christopher P Guise, Kashyap Patel, Maria R Abbattista, Jie Li, Jie Lie, Xueying Sun, Graham J Atwell, Maruta Boyd, Adam V Patterson, William R Wilson. Reductive metabolism of the dinitrobenzamide mustard anticancer prodrug PR-104 in mice.
Cancer chemotherapy and pharmacology.
2011 Mar; 67(3):543-55. doi:
10.1007/s00280-010-1354-5. [PMID: 20473609] - Michael B Jameson, Danny Rischin, Mark Pegram, John Gutheil, Adam V Patterson, William A Denny, William R Wilson. A phase I trial of PR-104, a nitrogen mustard prodrug activated by both hypoxia and aldo-keto reductase 1C3, in patients with solid tumors.
Cancer chemotherapy and pharmacology.
2010 Mar; 65(4):791-801. doi:
10.1007/s00280-009-1188-1. [PMID: 20012293] - Yongchuan Gu, Graham J Atwell, William R Wilson. Metabolism and excretion of the novel bioreductive prodrug PR-104 in mice, rats, dogs, and humans.
Drug metabolism and disposition: the biological fate of chemicals.
2010 Mar; 38(3):498-508. doi:
10.1124/dmd.109.030973. [PMID: 20019245] - Yongchuan Gu, William R Wilson. Rapid and sensitive ultra-high-pressure liquid chromatography-tandem mass spectrometry analysis of the novel anticancer agent PR-104 and its major metabolites in human plasma: Application to a pharmacokinetic study.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2009 Oct; 877(27):3181-6. doi:
10.1016/j.jchromb.2009.08.009. [PMID: 19709934] - Kashyap Patel, David Lewiston, Yongchuan Gu, Kevin O Hicks, William R Wilson. Analysis of the hypoxia-activated dinitrobenzamide mustard phosphate pre-prodrug PR-104 and its alcohol metabolite PR-104A in plasma and tissues by liquid chromatography-mass spectrometry.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2007 Sep; 856(1-2):302-11. doi:
10.1016/j.jchromb.2007.06.035. [PMID: 17644498]