6-Chloro-9-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-9H-purin-2-amine (BioDeep_00000176683)

   

human metabolite blood metabolite


代谢物信息卡片


6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-2,9-dihydro-1H-purin-2-imine

化学式: C14H15ClN6O (318.0996)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1=CN=C(C(=C1OC)C)CN2C=NC3=C2N=C(N=C3Cl)N
InChI: InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)

描述信息

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor

同义名列表

9 个代谢物同义名

6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-2,9-dihydro-1H-purin-2-imine; 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1H-purin-2-imine; 6-chloro-9-(4-Methoxy-3,5-dimethylpyridin-2-ylmethyl)-9H-purin-2-ylamine; 6-Chloro-9-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-9H-purin-2-amine; 6-chloro-4MDMPA; BIIB-021; BIIB 021; CNF2024; 94M



数据库引用编号

7 个数据库交叉引用编号

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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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Plant Reactome(0)

INOH(0)

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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。

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亚细胞结构定位 关联基因列表


文献列表

  • Silviu Sbiera, Sabine Kendl, Isabel Weigand, Iuliu Sbiera, Martin Fassnacht, Matthias Kroiss. Hsp90 inhibition in adrenocortical carcinoma: Limited drug synergism with mitotane. Molecular and cellular endocrinology. 2019 01; 480(?):36-41. doi: 10.1016/j.mce.2018.10.009. [PMID: 30315857]
  • Muhammad Wasif Saif, Chris Takimoto, Monica Mita, Udai Banerji, Nicole Lamanna, Januario Castro, Susan O'Brien, Christopher Stogard, Daniel Von Hoff. A phase 1, dose-escalation, pharmacokinetic and pharmacodynamic study of BIIB021 administered orally in patients with advanced solid tumors. Clinical cancer research : an official journal of the American Association for Cancer Research. 2014 Jan; 20(2):445-55. doi: 10.1158/1078-0432.ccr-13-1257. [PMID: 24097863]
  • Lin Xu, Caroline Woodward, Jing Dai, Chandra Prakash. Metabolism and excretion of 6-chloro-9-(4-methoxy-3,5-dimethylpyridin-2-ylmethyl)-9H-purin-2-ylamine, an HSP90 inhibitor, in rats and dogs and assessment of its metabolic profile in plasma of humans. Drug metabolism and disposition: the biological fate of chemicals. 2013 Dec; 41(12):2133-47. doi: 10.1124/dmd.113.054023. [PMID: 24046333]
  • Naveen Dakappagari, Laura Neely, Shabnam Tangri, Karen Lundgren, Lori Hipolito, Annalee Estrellado, Francis Burrows, Hong Zhang. An investigation into the potential use of serum Hsp70 as a novel tumour biomarker for Hsp90 inhibitors. Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals. 2010 Feb; 15(1):31-8. doi: 10.3109/13547500903261347. [PMID: 19747088]
  • Karen Lundgren, Hong Zhang, John Brekken, Nanni Huser, Rachel E Powell, Noel Timple, David J Busch, Laura Neely, John L Sensintaffar, Yong-ching Yang, Andres McKenzie, Jessica Friedman, Robert Scannevin, Adeela Kamal, Kevin Hong, Srinivas R Kasibhatla, Marcus F Boehm, Francis J Burrows. BIIB021, an orally available, fully synthetic small-molecule inhibitor of the heat shock protein Hsp90. Molecular cancer therapeutics. 2009 Apr; 8(4):921-9. doi: 10.1158/1535-7163.mct-08-0758. [PMID: 19372565]