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Cgs 22706

CAT: 0013-GTR19209418-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209418-02Size:50 mg
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Description
CGS 22706 is a selective small molecule antagonist of the adenosine A2 receptor. It is utilized in research to investigate adenosine signaling pathways in both in vitro and in vivo models, particularly within the fields of neuroscience, cardiovascular, and inflammatory studies.
CAS Number
143740-61-8
Smiles
CS (O) (=O) =O.CS (O) (=O) =O.CN (C) c1cccc2nc (N) n3nc (nc3c12) -c1ccco1
Molecular Formula
C17H22N6O7S2
Molecular Weight
486.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cgs 22706

adenosine A2 receptor antagonist

CAS Number143740-61-8
PubChem CID132579
IUPAC Name2-(furan-2-yl)-10-N,10-N-dimethyl-[1,2,4]triazolo[1,5-c]quinazoline-5,10-diamine;methanesulfonic acid
Molecular FormulaC17H22N6O7S2
Molecular Weight486.5
Topological Polar Surface Area211
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity500
SMILES
CN(C)C1=CC=CC2=C1C3=NC(=NN3C(=N2)N)C4=CC=CO4.CS(=O)(=O)O.CS(=O)(=O)O
InChI
InChI=1S/C15H14N6O.2CH4O3S/c1-20(2)10-6-3-5-9-12(10)14-18-13(11-7-4-8-22-11)19-21(14)15(16)17-9;2*1-5(2,3)4/h3-8H,1-2H3,(H2,16,17);2*1H3,(H,2,3,4)
InChIKey
YKWUQUHTXRBXGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cgs 22706
CAS: 143740-61-8
CID: 132579
Formula: C17H22N6O7S2
MW: 486.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count2
Exact Mass486.09913941
Monoisotopic Mass486.09913941
Topological Polar Surface Area211 Ų
Heavy Atom Count32
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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