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WRC-0571

CAT: 0931-T29162-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29162-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
501667-77-2
Target
Adenosine Receptor, Others
Related Pathways
GPCR/G Protein, Neuroscience, Others
Bioactivity
WRC-0571 is a highly potent, selective antagonist of A1 adenosine receptors.
Smiles
N(C1=C2C(N(C)C(N(C(C)C)C)=N2)=NC=N1)C3C4CC(C3)C(O)C4
Molecular Formula
C17H26N6O
Molecular Weight
330.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-[8-(Isopropyl-methyl-amino)-9-methyl-9H-purin-6-ylamino]-bicyclo[2.2.1]heptan-2-ol
CAS Number501667-77-2
PubChem CID9902054
IUPAC Name5-[[9-methyl-8-[methyl(propan-2-yl)amino]purin-6-yl]amino]bicyclo[2.2.1]heptan-2-ol
Molecular FormulaC17H26N6O
Molecular Weight330.4
XLogP2.2
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity462
SMILES
CC(C)N(C)C1=NC2=C(N=CN=C2N1C)NC3CC4CC3CC4O
InChI
InChI=1S/C17H26N6O/c1-9(2)22(3)17-21-14-15(18-8-19-16(14)23(17)4)20-12-6-11-5-10(12)7-13(11)24/h8-13,24H,5-7H2,1-4H3,(H,18,19,20)
InChIKey
FTVZUYADPTUEKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[8-(Isopropyl-methyl-amino)-9-methyl-9H-purin-6-ylamino]-bicyclo[2.2.1]heptan-2-ol
CAS: 501667-77-2
CID: 9902054
Formula: C17H26N6O
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass330.21680947
Monoisotopic Mass330.21680947
Topological Polar Surface Area79.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity462
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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