N-[4-(4-Chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide (BioDeep_00000181120)

   

human metabolite blood metabolite


代谢物信息卡片


N-[4-(4-Chlorobenzenesulphonyl)-4-(2,5-difluorophenyl)cyclohexyl]-1,1,1-trifluoromethanesulphonamide

化学式: C19H17ClF5NO4S2 (517.0207652)
中文名称:
谱图信息: 最多检出来源 Homo sapiens(blood) 98.15%

分子结构信息

SMILES: C1CC(CCC1NS(=O)(=O)C(F)(F)F)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H17ClF5NO4S2/c20-12-1-4-15(5-2-12)31(27,28)18(16-11-13(21)3-6-17(16)22)9-7-14(8-10-18)26-32(29,30)19(23,24)25/h1-6,11,14,26H,7-10H2

描述信息

D004791 - Enzyme Inhibitors > D000091062 - Gamma Secretase Inhibitors and Modulators

同义名列表

6 个代谢物同义名

N-[4-(4-Chlorobenzenesulphonyl)-4-(2,5-difluorophenyl)cyclohexyl]-1,1,1-trifluoromethanesulphonamide; N-[4-(4-Chlorophenyl)sulphonyl-4-(2,5-difluorophenyl)cyclohexyl]-1,1,1-trifluoromethanesulphonamide; N-(4-((4-Chlorophenyl)sulfonyl)-4-(2,5-difluorophenyl)cyclohexyl)-1,1,1-trifluoromethanesulfonamide; N-[4-(4-chlorobenzenesulfonyl)-4-(2,5-difluorophenyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide; N-[4-(4-Chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide; MRK 560



数据库引用编号

6 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

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PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

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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

  • Rosa María Rodríguez Sarmiento, Caterina Bissantz, Johan Bylund, Anja Limberg, Werner Neidhart, Roland Jakob-Roetne, Lisha Wang, Karlheinz Baumann. Stepwise Design of γ-Secretase Modulators with an Advanced Profile by Judicious Coordinated Structural Replacements and an Unconventional Phenyl Ring Bioisostere. Journal of medicinal chemistry. 2020 08; 63(15):8534-8553. doi: 10.1021/acs.jmedchem.0c00909. [PMID: 32706964]
  • Guoxin Wu, Zhenhua Wu, Sang Na, James C Hershey. Quantitative assessment of Aβ peptide in brain, cerebrospinal fluid and plasma following oral administration of γ-secretase inhibitor MRK-560 in rats. The International journal of neuroscience. 2015; 125(8):616-24. doi: 10.3109/00207454.2014.952730. [PMID: 25567290]
  • Guoxin Wu, Sethu Sankaranarayanan, Jacky Wong, Katherine Tugusheva, Maria S Michener, Xiaoping Shi, Jacquelynn J Cook, Adam J Simon, Mary J Savage. Characterization of plasma β-secretase (BACE1) activity and soluble amyloid precursor proteins as potential biomarkers for Alzheimer's disease. Journal of neuroscience research. 2012 Dec; 90(12):2247-58. doi: 10.1002/jnr.23122. [PMID: 22987781]
  • Monica Garcia-Alloza, Meenakshi Subramanian, Diana Thyssen, Laura A Borrelli, Abdul Fauq, Pritam Das, Todd E Golde, Bradley T Hyman, Brian J Bacskai. Existing plaques and neuritic abnormalities in APP:PS1 mice are not affected by administration of the gamma-secretase inhibitor LY-411575. Molecular neurodegeneration. 2009 May; 4(?):19. doi: 10.1186/1750-1326-4-19. [PMID: 19419556]