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Chemical structure of MRS 1220

GC11579

MRS 1220

Also known as N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylacetamide

human A3 adenosine receptor antagonist

ChemicalCAS183721-15-5MW403.83FormulaC21H14ClN5O2
CAS number
183721-15-5
Molecular weight
403.83
Formula
C21H14ClN5O2
Solubility
＜8·08mg/ml in DMSO
InChIKey
TWWFAXQOKNBUCR-UHFFFAOYSA-N
Catalogue number
GC11579
Brand
GLPBIO
Computed properties PubChem CID 393595 · XLogP 3.9 · TPSA 85.3 Ų · H-bond donors 1
XLogP
3.9
TPSA
85.3 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29

SMILES C1=CC=C(C=C1)CC(=O)NC2=NC3=C(C=C(C=C3)Cl)C4=NC(=NN42)C5=CC=CO5

Computed descriptors from PubChem (CID 393595), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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