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MAT2A-IN-6

CAT: 0931-T62100-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T62100-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2756458-72-5
Target
Others, Methionine Adenosyltransferase (MAT)
Related Pathways
Others, Chromatin/Epigenetic
Bioactivity
MAT2A-IN-6 is a potent inhibitor of MAT2A that reduces the proliferative activity of MTAP-deficient cancer cells, demonstrating significant research potential in cancer diseases.
Smiles
O=C1N(C=2C(C(NC)=C1C(OC)=O)=CC=C(C(F)(F)F)N2)C3=C(Cl)C=CC=C3
Molecular Formula
C18H13ClF3N3O3
Molecular Weight
411.76
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mat2A-IN-6
CAS Number2756458-72-5
PubChem CID162518391
IUPAC Namemethyl 1-(2-chlorophenyl)-4-(methylamino)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
Molecular FormulaC18H13ClF3N3O3
Molecular Weight411.8
XLogP4.2
Topological Polar Surface Area71.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity670
SMILES
CNC1=C(C(=O)N(C2=C1C=CC(=N2)C(F)(F)F)C3=CC=CC=C3Cl)C(=O)OC
InChI
InChI=1S/C18H13ClF3N3O3/c1-23-14-9-7-8-12(18(20,21)22)24-15(9)25(11-6-4-3-5-10(11)19)16(26)13(14)17(27)28-2/h3-8,23H,1-2H3
InChIKey
XYANVSKVJNKBPQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mat2A-IN-6
CAS: 2756458-72-5
CID: 162518391
Formula: C18H13ClF3N3O3
MW: 411.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.8
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass411.0597535
Monoisotopic Mass411.0597535
Topological Polar Surface Area71.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity670
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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