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AGI-6780

SIGMA/SML0895 - ≥98% (HPLC)

Synonym: N-Cyclopropyl-4-(3-thienyl)-3-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-benzenesulfonamide

CAS Number: 1432660-47-3
Empirical Formula (Hill Notation): C21H18F3N3O3S2
Molecular Weight: 481.51
Linear Formula: C21H18F3N3O3S2
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-SML0895-5MG 5 mg
 $154.00
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45-SML0895-25MG 25 mg
 $615.00
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This image is provided for informative purposes only and does not represent an actual product label. It should not be used as a substitute for official product labeling.

 

assay ≥98% (HPLC)
color white to light brown
form powder
InChI 1S/C21H18F3N3O3S2/c22-21(23,24)14-2-1-3-16(10-14)25-20(28)26-19-11-17(32(29,30)27-15-4-5-15)6-7-18(19)13-8-9-31-12-13/h1-3,6-12,15,27H,4-5H2,(H2,25,26,28)
InChI key CCAWRGNYALGPQH-UHFFFAOYSA-N
Quality Level 100 
SMILES string FC(F)(F)c1cc(ccc1)NC(=O)Nc2c(ccc(c2)[S](=O)(=O)NC4CC4)c3c[s]cc3
solubility DMSO: 20 mg/mL, clear
storage temp. 2-8°C
Biochem/physiol Actions: AGI-6780 is a selective inhibitor of IDH2/R140Q a tumor-associated mutant of isocitrate dehydrogenase IDH2.
Biochem/physiol Actions: AGI-6780 is a selective inhibitor of IDH2/R140Q a tumor-associated mutant of isocitrate dehydrogenase IDH2. Several human cancers have somatic point mutations in the genes encoding isocitrate dehydrogenases 1 and 2 (IDH1 and IDH2), confering a gain-of-function in cancer cells in which the mutant enzymes produce the oncometabolite (R)-2-hydroxyglutarate, [(R)-2HG]. (R)-2HG inhibits histone- and DNA-modifying enzymes, resulting in altered gene expression, histone and DNA hypermethylation, and inducing a block in cellular differentiation that promotes tumorigenesis. AGI-6780 reduced (R)-2HG levels in cell lines overexpressing IDH2/R140Q with an EC50 of 20 nM, and induced differentiation of TF-1 erythroleukemia and primary human acute myelogenous leukemia cells in vitro. AGI-6780 binds allosterically at the dimer interface of IDH2. AGI-6780 shows good selectivity against other dehydrogenases, including the closely related IDH1-WT or R132H mutant enzymes.
Features and Benefits: This compound is a featured product for Gene Regulation research. Click here  to discover more featured Gene Regulation products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm .
Packaging: 5, 25 mg in glass bottle
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ≥98% (HPLC)
Storage Temp. 2-8°C
UNSPSC 12352200

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