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AGI25696

CAT: 0931-T69811-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69811-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2201065-84-9
Target
Others
Related Pathways
Others
Bioactivity
AGI-25696 is a MATA2 inhibitor that are useful as therapeutic agents for treating malignancies. AGI-25696 showed in vivo activity in MTAP null tumors. Note: The correct structure of AGI-25696 is CAS#2201065-84-9. Many vendors mistakenly listed CAS#2201066-35-3 as its AGI25696. J. Med. Chem. 2021, 64, 8, 4430–4449 published AGI25696 structure (it is CAS#2201065-84-9) .
Smiles
O=C1N2C(=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)NC(C)=C1C5=CC6=C(C=C5)N=CC=C6
Molecular Formula
C28H20N4O
Molecular Weight
428.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-methyl-2,3-diphenyl-6-(quinolin-6-yl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CAS Number2201065-84-9
PubChem CID134307474
IUPAC Name5-methyl-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Molecular FormulaC28H20N4O
Molecular Weight428.5
XLogP5.2
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity874
SMILES
CC1=C(C(=O)N2C(=N1)C(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC6=C(C=C5)N=CC=C6
InChI
InChI=1S/C28H20N4O/c1-18-24(22-14-15-23-21(17-22)13-8-16-29-23)28(33)32-27(30-18)25(19-9-4-2-5-10-19)26(31-32)20-11-6-3-7-12-20/h2-17,31H,1H3
InChIKey
ZPZGLOIAFKKRMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-methyl-2,3-diphenyl-6-(quinolin-6-yl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CAS: 2201065-84-9
CID: 134307474
Formula: C28H20N4O
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass428.16371127
Monoisotopic Mass428.16371127
Topological Polar Surface Area57.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity874
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

Alternative Products

CatalogName
MBS5812356AGI25696
556101AGI25696-Analog

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