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Chemical structure of A2B receptor antagonist 2

GC62820

A2B receptor antagonist 2

Also known as 2-(4,6,7-trimethylquinazolin-2-yl)guanidine

A2B receptor antagonist 2 (compound 18) is an adenosine receptor A2B antagonist, with Ki values of 2·30 μM, 6·8 μM and 3·44 μM for rA1, rA2A and hA2B, respectively

ChemicalCAS784-90-7MW229.28FormulaC12H15N5
CAS number
784-90-7
Molecular weight
229.28
Formula
C12H15N5
Solubility
Methanol : 5 mg/mL (21·81 mM; ultrasonic and warming and heat to 60°C)|DMSO : 2 mg/mL (8·72 mM; ultrasonic and warming and heat to 60°C)
InChIKey
JFQDHSRWWLJCBV-UHFFFAOYSA-N
Catalogue number
GC62820
Brand
GLPBIO
Computed properties PubChem CID 2853458 · XLogP 1.5 · TPSA 90.2 Ų · H-bond donors 2
XLogP
1.5
TPSA
90.2 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17

SMILES CC1=CC2=C(N=C(N=C2C=C1C)N=C(N)N)C

Computed descriptors from PubChem (CID 2853458), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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