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Chemical structure of Etrumadenant

GC38104

Etrumadenant

Also listed as A2aR/A2bR antagonist-1

A2aR/A2bR antagonist-1 is an orally bioavailable, selective dual adenosine receptor (A2aR/A2bR) antagonist

ChemicalCAS2239273-34-6MW426.47FormulaC23H22N8O
CAS number
2239273-34-6
Molecular weight
426.47
Formula
C23H22N8O
Solubility
DMSO: 250 mg/mL (586·21 mM)
InChIKey
BUXIAWLTBSXYSW-UHFFFAOYSA-N
Catalogue number
GC38104
Brand
GLPBIO
Computed properties PubChem CID 135242184 · XLogP 1.4 · TPSA 139 Ų · H-bond donors 2
XLogP
1.4
TPSA
139 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
32

SMILES CC1=C(C=CC=C1C2=CC(=NC(=N2)N)C3=CN(N=N3)CC4=NC(=CC=C4)C(C)(C)O)C#N

Computed descriptors from PubChem (CID 135242184), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.