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AB928

CAT: 0931-T14078-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T14078-01Size:1 mg
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CAS Number
2239273-34-6
Target
Adenosine Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
>99.99%
Bioactivity
AB928 is an orally bioavailable, selective dual adenosine receptor (A2aR/A2bR) antagonist. It has immunomodulatory activity[1].
Smiles
Cc1c(cccc1-c1cc(nc(N)n1)-c1cn(Cc2cccc(n2)C(C)(C)O)nn1)C#N
Molecular Formula
C23H22N8O
Molecular Weight
426.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Etrumadenant

Etrumadenant is an orally bioavailable antagonist of both the immunomodulatory checkpoint molecules adenosine A2A receptor (A2AR; ADORA2A) and A2B receptor (A2BR; ADORA2B), with potential immunomodulating and antineoplastic activities. Upon administration, etrumadenant competes with tumor-released adenosine for binding to A2AR and A2BR expressed on numerous intra-tumoral immune cells, such as dendritic cells (DCs), natural killer (NK) cells, macrophages and T-lymphocytes. The binding of AB928 to A2AR and A2BR inhibits A2AR/A2BR activity and prevents adenosine-A2AR/A2BR-mediated signaling. A2AR/A2BR inhibition activates and enhances the proliferation of various immune cells, abrogates the adenosine-mediated immunosuppression in the tumor microenvironment (TME) and activates the immune system to exert anti-tumor immune responses against cancer cells, which leads to tumor cell killing. A2AR and A2BR, G protein-coupled signaling receptors, are expressed on the cell surfaces of numerous immune cells. Adenosine is often overproduced by tumor cells and plays a key role in immunosuppression and tumor cell proliferation.

CAS Number2239273-34-6
PubChem CID135242184
IUPAC Name3-[2-amino-6-[1-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile
Molecular FormulaC23H22N8O
Molecular Weight426.5
XLogP1.4
Topological Polar Surface Area139
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity680
SMILES
CC1=C(C=CC=C1C2=CC(=NC(=N2)N)C3=CN(N=N3)CC4=NC(=CC=C4)C(C)(C)O)C#N
InChI
InChI=1S/C23H22N8O/c1-14-15(11-24)6-4-8-17(14)18-10-19(28-22(25)27-18)20-13-31(30-29-20)12-16-7-5-9-21(26-16)23(2,3)32/h4-10,13,32H,12H2,1-3H3,(H2,25,27,28)
InChIKey
BUXIAWLTBSXYSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Etrumadenant
CAS: 2239273-34-6
CID: 135242184
Formula: C23H22N8O
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass426.19165736
Monoisotopic Mass426.19165736
Topological Polar Surface Area139 Ų
Heavy Atom Count32
Formal Charge0
Complexity680
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
MBS3847177-01AB928
C14358-01Etrumadenant (AB928)
A22679-100Etrumadenant (AB928) 100mg
A22679-1Etrumadenant (AB928) 1mg
A22679-10Etrumadenant (AB928) 10mg
A22679-50Etrumadenant (AB928) 50mg
A22679-25Etrumadenant (AB928) 25mg
A22679-5Etrumadenant (AB928) 5mg
A22679-10mM-DEtrumadenant (AB928) 10mM * 1mL in DMSO

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