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AGI-43192

CAT: 0931-T9729-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T9729-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2377491-54-6
Target
Others, Somatostatin, Methionine Adenosyltransferase (MAT)
Related Pathways
Others, Chromatin/Epigenetic, GPCR/G Protein
Purity
0.9989
Bioactivity
AGI-43192 is a potent methionine adenosine transferase 2A (MAT2A) inhibitor that penetrates the blood-brain barrier. AGI-43192 inhibits S-adenosine methionine (SAM) production metabolic enzyme and methionine adenosine transferase 2A (MAT2A), which has the potential to study the role of SAM regulation in the central nervous system (CNS) and the treatment of cancer diseases.
Smiles
Cn1cc2cc(ccc2n1)-n1cc2cnc(NCC(F)(F)F)nc2c(-c2ccc(Cl)cc2)c1=O
Molecular Formula
C23H16ClF3N6O
Molecular Weight
484.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8-(4-Chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-((2,2,2-trifluoroethyl)amino)pyrido[4,3-d]pyrimidin-7(6H)-one
CAS Number2377491-54-6
PubChem CID139551841
IUPAC Name8-(4-chlorophenyl)-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
Molecular FormulaC23H16ClF3N6O
Molecular Weight484.9
XLogP3.3
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity953
SMILES
CN1C=C2C=C(C=CC2=N1)N3C=C4C=NC(=NC4=C(C3=O)C5=CC=C(C=C5)Cl)NCC(F)(F)F
InChI
InChI=1S/C23H16ClF3N6O/c1-32-10-14-8-17(6-7-18(14)31-32)33-11-15-9-28-22(29-12-23(25,26)27)30-20(15)19(21(33)34)13-2-4-16(24)5-3-13/h2-11H,12H2,1H3,(H,29,30)
InChIKey
XXCYDSDPIJJBSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(4-Chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-((2,2,2-trifluoroethyl)amino)pyrido[4,3-d]pyrimidin-7(6H)-one
CAS: 2377491-54-6
CID: 139551841
Formula: C23H16ClF3N6O
MW: 484.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.9
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass484.1026213
Monoisotopic Mass484.1026213
Topological Polar Surface Area74.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity953
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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