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IDE397 (GSK-4362676)

CAT: 1568-C01700-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01700-5mgSize:5 mg
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CAS Number
2439277-80-0
Target
MAT2A
Applications
Methylation
Molecular Formula
C14H8ClF3N4O
Additionnal Information
IDE397 (GSK-4362676) is a potent inhibitor of MAT2A (methionine adenosyltransferase 2A) and exhibits anti-tumor activity in MTAP-deleted PDX models.

Chemical Information

Mat2A-IN-9

MAT2A Inhibitor IDE397 is an orally bioavailable inhibitor of methionine adenosyltransferase II alpha (MAT2A), with potential antineoplastic activity. Upon oral administration, MAT2A inhibitor IDE397 targets, binds to and inhibits the activity of MAT2A, a metabolic enzyme responsible for the production of S-adenosyl-L-methionine (SAM), a primary donor of methyl groups in cellular transmethylation reactions that regulate gene expression, cell growth, and differentiation. Inhibition of MAT2A may inhibit proliferation in methylthioadenosine phosphorylase (MTAP)-deleted cancers that rely heavily on SAM synthesis. MAT2A activity is essential in cancer cells deficient in MTAP, a critical enzyme in the methionine salvage pathway, that is deleted in a variety of human cancers.

CAS Number2439277-80-0
PubChem CID153608878
IUPAC Name4-amino-1-(2-chlorophenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
Molecular FormulaC14H8ClF3N4O
Molecular Weight340.69
XLogP2.7
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity513
SMILES
C1=CC=C(C(=C1)N2C3=C(C=CC(=N3)C(F)(F)F)C(=NC2=O)N)Cl
InChI
InChI=1S/C14H8ClF3N4O/c15-8-3-1-2-4-9(8)22-12-7(11(19)21-13(22)23)5-6-10(20-12)14(16,17)18/h1-6H,(H2,19,21,23)
InChIKey
BVNKURJMNQNVAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mat2A-IN-9
CAS: 2439277-80-0
CID: 153608878
Formula: C14H8ClF3N4O
MW: 340.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.69
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass340.0338731
Monoisotopic Mass340.0338731
Topological Polar Surface Area71.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity513
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

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