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MAT2A-IN-3

CAT: 0931-T63603-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63603-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2377493-28-0
Target
Others, Somatostatin
Related Pathways
GPCR/G Protein, Others
Bioactivity
MAT2A-IN-3, a potent MAT2A inhibitor, suppresses the proliferative activity of MTAP-deficient cancer cells and shows potential for cancer research [3=c1 (c (c (c (c (c1cl) O) O) O) I) c2c (NC (c (n2) C (F) (F) F) Cl) =O].
Smiles
O=C1C(=C2C(=CN1C3=CC=4C(C=C3)=NN(C)C4)C=NC(OCC(F)(F)F)=N2)C5=CC=C(OC(F)F)C=C5
Molecular Formula
C24H16F5N5O3
Molecular Weight
517.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mat2A-IN-3
CAS Number2377493-28-0
PubChem CID155674903
IUPAC Name8-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-one
Molecular FormulaC24H16F5N5O3
Molecular Weight517.4
XLogP4.1
Topological Polar Surface Area81.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity1020
SMILES
CN1C=C2C=C(C=CC2=N1)N3C=C4C=NC(=NC4=C(C3=O)C5=CC=C(C=C5)OC(F)F)OCC(F)(F)F
InChI
InChI=1S/C24H16F5N5O3/c1-33-10-14-8-16(4-7-18(14)32-33)34-11-15-9-30-23(36-12-24(27,28)29)31-20(15)19(21(34)35)13-2-5-17(6-3-13)37-22(25)26/h2-11,22H,12H2,1H3
InChIKey
NMLFVOGTUAFIMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mat2A-IN-3
CAS: 2377493-28-0
CID: 155674903
Formula: C24H16F5N5O3
MW: 517.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.4
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass517.11733020
Monoisotopic Mass517.11733020
Topological Polar Surface Area81.3 Ų
Heavy Atom Count37
Formal Charge0
Complexity1020
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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