Products for Research Use Only
RegisterLogin

AGI-6780

CAT: 0013-GTR19163231-01Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19163231-01Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
AGI-6780 is a potent and selective inhibitor of IDH2 R140Q mutant with IC50 of 23 nM. (In Vitro) :AGI-6780 is tested in both human glioblastoma U87 and TF-1 cells expressing IDH2R140Q, as well as against IDH1R132H for 48 h incubation, with IC50 of 11±2.6 nM, 18±0.51 nM, and >1 mM, respectivly.Treatment of TF-1R140Q cells with AGI-6780, at concentrations that lower 2HG to near-normal physiologic levels, restore expression of both HBG and KLF1 genes and the color change associated with differentiation. AGI-6780 can reverse the IDH2R140Q-induced differentiation block in TF-1 cells. Pretreatment with AGI-6780 (0.2 μM and 1 μM) markedly decreased the intracellular concentration of (R) -2-hydroxyglutarate in the TF1R140Q cells and restored their ability to undergo EPO-induced differentiation.
CAS Number
1432660-47-3
Product Name Alternative
AGI6780 | AGI 6780 | AGI-6780
Purity
>98% (HPLC)
Solubility
Ethanol: 96 mg/mL (199.37 mM) ; DMSO: 96 mg/mL (199.37 mM)
Smiles
O=S (C1=CC=C (C2=CSC=C2) C (NC (NC3=CC=CC (C (F) (F) F) =C3) =O) =C1) (NC4CC4) =O
Molecular Formula
C21H18F3N3O3S2
Molecular Weight
481.51
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
N-cyclopropyl-4- (thiophen-3-yl) -3- (3- (3- (trifluoromethyl) phenyl) ureido) benzenesulfonamide

Chemical Information

Agi-6780

inhibits isocitrate dehydrogenases 1 and 2; structure in first source

CAS Number1432660-47-3
PubChem CID71299339
IUPAC Name1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
Molecular FormulaC21H18F3N3O3S2
Molecular Weight481.5
XLogP4.2
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity770
SMILES
C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI
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)
InChIKey
CCAWRGNYALGPQH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Agi-6780
CAS: 1432660-47-3
CID: 71299339
Formula: C21H18F3N3O3S2
MW: 481.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.5
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass481.07416828
Monoisotopic Mass481.07416828
Topological Polar Surface Area124 Ų
Heavy Atom Count32
Formal Charge0
Complexity770
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19204087-01AGI-24512
GTR19198288-01AGI-026
GTR19177619-01AGI-25696
GTR19162760-01AGI-1067
GTR19155913-01AGI-24512
GTR19172341-01AGI-5198
GTR19163759-01AGI-5198
GTR19209670-01AGI-16903
GTR19184390-01AGI-43192
GTR19184379-01AGI-41998

Alternative Products

CatalogName
162554AGI-6780
A12903-100AGI-6780 100mg

Popular Products