Selumetinib

5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-1,3-benzodiazole-6-carboximidic acid

Formula: C17H15BrClFN4O3 (456)
Chinese Name: 司美替尼
BioDeep ID: BioDeep_00000229504 ( View LC/MS Profile)
SMILES: CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO



Found 6 Sample Hits

m/z Adducts Species Organ Scanning Sample
456.9999 [M+H]+
PPM:16.1
Mus musculus Kidney MALDI (CHCA)
FULL_MS_centriod_CHCA_20210819 - FULL_MS_centriod_CHCA_20210819
Resolution: 17μm, 638x437

Description

AP-MALDI instrument demo test, mass spectrum scan in centroid mode.

456.0054 [M]+
PPM:13
Rattus norvegicus Brain MALDI (CHCA)
Spectroswiss - sol_2x_br_2 - 2016-09-29_07h40m45s
Resolution: 17μm, 488x193

Description

457.0055 [M+H]+
PPM:4.1
Rattus norvegicus Brain MALDI (CHCA)
Spectroswiss - sol_2x_br_2 - 2016-09-29_07h40m45s
Resolution: 17μm, 488x193

Description

457.01 [M+H]+
PPM:6
Mus musculus Liver MALDI (CHCA)
Salmonella_final_pos_recal - MTBLS2671
Resolution: 17μm, 691x430

Description

A more complete and holistic view on host–microbe interactions is needed to understand the physiological and cellular barriers that affect the efficacy of drug treatments and allow the discovery and development of new therapeutics. Here, we developed a multimodal imaging approach combining histopathology with mass spectrometry imaging (MSI) and same section imaging mass cytometry (IMC) to study the effects of Salmonella Typhimurium infection in the liver of a mouse model using the S. Typhimurium strains SL3261 and SL1344. This approach enables correlation of tissue morphology and specific cell phenotypes with molecular images of tissue metabolism. IMC revealed a marked increase in immune cell markers and localization in immune aggregates in infected tissues. A correlative computational method (network analysis) was deployed to find metabolic features associated with infection and revealed metabolic clusters of acetyl carnitines, as well as phosphatidylcholine and phosphatidylethanolamine plasmalogen species, which could be associated with pro-inflammatory immune cell types. By developing an IMC marker for the detection of Salmonella LPS, we were further able to identify and characterize those cell types which contained S. Typhimurium. [dataset] Nicole Strittmatter. Holistic Characterization of a Salmonella Typhimurium Infection Model Using Integrated Molecular Imaging, metabolights_dataset, V1; 2022. https://www.ebi.ac.uk/metabolights/MTBLS2671.

457.0029 [M+H]+
PPM:9.6
Mus musculus brain MALDI (DHB)
Brain01_Bregma1-42_02_centroid - MTBLS313
Resolution: 17μm, 434x258

Description

457.0029 [M+H]+
PPM:9.6
Mus musculus brain MALDI (DHB)
Brain01_Bregma1-42_01_centroid - MTBLS313
Resolution: 17μm, 447x118

Description


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EE - Mitogen-activated protein kinase (mek) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C69145 - Mitogen-Activated Protein Kinase Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor Selumetinib (AZD6244) is selective, non-ATP-competitive oral MEK1/2 inhibitor, with an IC50 of 14 nM for MEK1. Selumetinib (AZD6244) inhibits ERK1/2 phosphorylation.