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AGI-43192

CAT: 0013-GTR19184390-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184390-02Size:5 mg
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Description
AGI-43192 is a brain-penetrant, potent inhibitor of methionine adenosyltransferase 2A (MAT2A), blocking S-adenosylmethionine (SAM) production. This tool compound enables research into SAM-dependent processes in the central nervous system and is investigated in oncology for its potential anti-cancer effects in preclinical models.
CAS Number
2377491-54-6
Product Name Alternative
AGI 43192, AGI43192, AGI-43192, MAT2A
Field of Research
Epigenetics & Chromatin, Pharmacology & Drug Discovery
Purity
99.60% (May vary between batches)
Solubility
DMSO:45 mg/mL (92.81 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:8 mg/mL (16.5 mM)
Smiles
Cn1cc2cc (ccc2n1) -n1cc2cnc (NCC (F) (F) F) nc2c (-c2ccc (Cl) cc2) c1=O
Molecular Formula
C23H16ClF3N6O
Molecular Weight
484.86
Storage Conditions
-20°C
Notes
For research use only.

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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