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AB928

CAT: 0013-GTR19175494-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175494-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AB928
CAS Number
2239273-34-6
Product Name Alternative
A2A, A2aR/A2bR, A2B, AB928, AB-928, AB 928, Adenosine Receptor, AdenosineReceptor, inhibit, Inhibitor, P1 receptor
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.00% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:3.3 mg/mL (7.74 mM) ; DMSO:245 mg/mL (574.48 mM)
Smiles
Cc1c (cccc1-c1cc (nc (N) n1) -c1cn (Cc2cccc (n2) C (C) (C) O) nn1) C#N
Molecular Formula
C23H22N8O
Molecular Weight
426.47
Storage Conditions
-20°C
Notes
For research use only.

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

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