Synonym
AB928 ; AB-928; AB 928; Etrumadenant
IUPAC/Chemical Name
3-[2-Amino-6-[1-[[6-(2-hydroxypropan-2-yl)pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile
InChi Key
BUXIAWLTBSXYSW-UHFFFAOYSA-N
InChi Code
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)
SMILES Code
N#CC1=CC=CC(C2=NC(N)=NC(C3=CN(CC4=NC(C(C)(O)C)=CC=C4)N=N3)=C2)=C1C
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
The structure of AR928 was from below web pages:
https://pubchem.ncbi.nlm.nih.gov/compound/135242184
https://chem.nlm.nih.gov/chemidplus/sid/2239273346
Preparing Stock Solutions
The following data is based on the
product
molecular weight
426.48
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Seifert M, Benmebarek MR, Briukhovetska D, Märkl F, Dörr J, Cadilha BL, Jobst J, Stock S, Andreu-Sanz D, Lorenzini T, Grünmeier R, Oner A, Obeck H, Majed L, Dhoqina D, Feinendegen M, Gottschlich A, Zhang J, Schindler U, Endres S, Kobold S. Impact of the selective A2AR and A2BR dual antagonist AB928/etrumadenant on CAR T cell function. Br J Cancer. 2022 Dec;127(12):2175-2185. doi: 10.1038/s41416-022-02013-z. Epub 2022 Oct 20. PMID: 36266575; PMCID: PMC9726885.
2: Claff T, Schlegel JG, Voss JH, Vaaßen VJ, Weiße RH, Cheng RKY, Markovic- Mueller S, Bucher D, Sträter N, Müller CE. Crystal structure of adenosine A2A receptor in complex with clinical candidate Etrumadenant reveals unprecedented antagonist interaction. Commun Chem. 2023 Jun 1;6(1):106. doi: 10.1038/s42004-023-00894-6. PMID: 37264098; PMCID: PMC10235125.
3: Franco R, Lillo A, Navarro G, Reyes-Resina I. The adenosine A2A receptor is a therapeutic target in neurological, heart and oncogenic diseases. Expert Opin Ther Targets. 2022 Sep;26(9):791-800. doi: 10.1080/14728222.2022.2136570. Epub 2022 Oct 26. PMID: 36300278.
