2-((2-Bromoethyl)(2-((2-hydroxyethyl)carbamoyl)-4,6-dinitrophenyl)amino)ethyl methanesulfonate (BioDeep_00000841017)

   


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2-((2-Bromoethyl)(2-((2-hydroxyethyl)carbamoyl)-4,6-dinitrophenyl)amino)ethyl methanesulfonate

化学式: C14H19BrN4O9S (498.00560640000003)
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)NCCO
InChI: InChI=1S/C14H19BrN4O9S/c1-29(26,27)28-7-5-17(4-2-15)13-11(14(21)16-3-6-20)8-10(18(22)23)9-12(13)19(24)25/h8-9,20H,2-7H2,1H3,(H,16,21)

描述信息

D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds

同义名列表

1 个代谢物同义名

2-((2-Bromoethyl)(2-((2-hydroxyethyl)carbamoyl)-4,6-dinitrophenyl)amino)ethyl methanesulfonate



数据库引用编号

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代谢反应

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  • 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。

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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]
  • 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]
  • Kashyap Patel, Steve S F Choy, Kevin O Hicks, Teresa J Melink, Nicholas H G Holford, William R Wilson. A combined pharmacokinetic model for the hypoxia-targeted prodrug PR-104A in humans, dogs, rats and mice predicts species differences in clearance and toxicity. Cancer chemotherapy and pharmacology. 2011 May; 67(5):1145-55. doi: 10.1007/s00280-010-1412-z. [PMID: 20683596]
  • 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]
  • 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]