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AGI6780

AGI6780 structure

CAS No:
1432660-47-3
Formula:
C21H18F3N3O3S2
Chemical Name:
AGI6780
Synonyms:
AGI-6780 N-Cyclopropyl-4-(3-thienyl)-3-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-benzenesulfonamide;N-Cyclopropyl-4-(3-thienyl)-3-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-benzenesulfonamide AGI-6780;AGI-6780, >=98%;AGI6780;N-cyclopropyl-4-(thiophen-3-yl)-3-(3-(3-(trifluoroMethyl)phenyl)ureido)benzenesulfonaMide;N-Cyclopropyl-4-(3-thienyl)-3-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-benzenesulfonamide;Benzenesulfonamide, N-cyclopropyl-4-(3-thienyl)-3-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-
Categories:
Biochemical Engineering > Inhibitors

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Description

AGI-6780 is a potent and selective inhibitor of IDH2 R140Q mutant with IC50 of 23 nM.

AGI6780 Basic Attributes

Molecular Weight：

481.5111296

Exact Mass：

481.074

DSSTox ID：

DTXSID50744321

Characteristics

PSA：

124

XLogP3：

4.2

Density：

1.52±0.1 g/cm3(Predicted)

Drug Information

MeSH Entry Terms：

AGI-6780

Computed Properties

Molecular Weight:481.5
XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:481.07416828
Monoisotopic Mass:481.07416828
Topological Polar Surface Area:124
Heavy Atom Count:32
Complexity:771
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes