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AG-270

CAT: 0926-BND05666-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-BND05666-01Size:5 mg
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CAS Number
2201056-66-6
Smiles
C1CC1C2=NC3=C (CNCC3) C (=O) N2CC4=CC=CC=C4
Molecular Formula
C30H31N5O2
Molecular Weight
493.6 g/mol
Controlled
No

Chemical Information

3-(Cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7(4H)-one

MAT2A Inhibitor AG-270 is an orally available small molecule inhibitor of methionine adenosyltransferase II alpha (MAT2A) with potential antineoplastic activity. Upon administration, AG-270 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. MAT2A activity is selectively essential in cancer cells deficient in methylthioadenosine phosphorylase (MTAP), a critical enzyme in the methionine salvage pathway, that is deleted in some human cancers. Inhibition of MAT2A may potentially inhibit tumor cell growth in MTAP-deleted cancers that rely heavily on SAM synthesis.

CAS Number2201056-66-6
PubChem CID134307820
IUPAC Name3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
Molecular FormulaC30H27N5O2
Molecular Weight489.6
XLogP5.6
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity997
SMILES
COC1=CC=C(C=C1)C2=C(N=C3C(=C(NN3C2=O)C4=CC=CC=C4)C5=CCCCC5)NC6=CC=CC=N6
InChI
InChI=1S/C30H27N5O2/c1-37-23-17-15-21(16-18-23)26-28(32-24-14-8-9-19-31-24)33-29-25(20-10-4-2-5-11-20)27(34-35(29)30(26)36)22-12-6-3-7-13-22/h3,6-10,12-19,34H,2,4-5,11H2,1H3,(H,31,32)
InChIKey
LSOYYWKBUKXUHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CAS: 2201056-66-6
CID: 134307820
Formula: C30H27N5O2
MW: 489.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.6
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass489.21647512
Monoisotopic Mass489.21647512
Topological Polar Surface Area78.9 Ų
Heavy Atom Count37
Formal Charge0
Complexity997
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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