Products for Research Use Only
RegisterLogin

AGI-41998

CAT: 0931-T9730-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T9730-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2377492-26-5
Target
Others, Somatostatin
Related Pathways
GPCR/G Protein, Others
Bioactivity
AGI-41998 is a potent inhibitor of methionine adenosyltransferase 2A (MAT2A) that penetrates the blood-brain barrier. It inhibits S-adenosylmethionine (SAM) metabolizing enzymes and MAT2A for the treatment of cancer and for studying the role of SAM regulation in the central nervous system (CNS) .
Smiles
COc1ccc(cc1)-n1cc2cnc(NCC(F)(F)F)nc2c(-c2ccc(Br)cc2)c1=O
Molecular Formula
C22H16BrF3N4O2
Molecular Weight
505.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8-(4-Bromophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
CAS Number2377492-26-5
PubChem CID139552098
IUPAC Name8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
Molecular FormulaC22H16BrF3N4O2
Molecular Weight505.3
XLogP3.7
Topological Polar Surface Area66.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity852
SMILES
COC1=CC=C(C=C1)N2C=C3C=NC(=NC3=C(C2=O)C4=CC=C(C=C4)Br)NCC(F)(F)F
InChI
InChI=1S/C22H16BrF3N4O2/c1-32-17-8-6-16(7-9-17)30-11-14-10-27-21(28-12-22(24,25)26)29-19(14)18(20(30)31)13-2-4-15(23)5-3-13/h2-11H,12H2,1H3,(H,28,29)
InChIKey
QHXQQFITXAUNPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(4-Bromophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
CAS: 2377492-26-5
CID: 139552098
Formula: C22H16BrF3N4O2
MW: 505.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.3
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass504.04087
Monoisotopic Mass504.04087
Topological Polar Surface Area66.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity852
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
T2104-01AGI-5198
T26575-01AGI-026
T9729-01AGI-43192
T1809-01AGI-6780
T14141-01AGI-24512
T10259-01AGI-25696
T25006-01AGI-14100
T70315-01AGI-16903
T85604-01AGI-134
T124954-01Antibiotic AGI-B4

Alternative Products

CatalogName
MBS5825368AGI-41998
BUP07546-01AGI-41998 tautomers
BA5817-1AGI-43192
A3146-5.1AGI-6780
A4339-25AGI-5198
BA173349-01AGI 24512
HY-156996AGI-134
7087/25AGI 5198
E1806-100mgAGI-24512
MBS5776303AGI-026

Popular Products