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PSB 1115

CAT: 0931-T23201-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T23201-02Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
152529-79-8
Target
Adenosine Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
>99.99%
Bioactivity
PSB 1115 is an A2B receptor antagonist and can counteract the inhibitory effect of NECA.
Smiles
O=C1C2=C(N=C(N2)C3=CC=C(S(=O)(=O)O)C=C3)NC(=O)N1CCC
Molecular Formula
C14H14N4O5S
Molecular Weight
350.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Psb1115

4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid is an oxopurine.

CAS Number152529-79-8
PubChem CID5311479
IUPAC Name4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid
Molecular FormulaC14H14N4O5S
Molecular Weight350.35
XLogP0.7
Topological Polar Surface Area141
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity611
SMILES
CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)O
InChI
InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
InChIKey
UYDRRQPGDSIMNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Psb1115
CAS: 152529-79-8
CID: 5311479
Formula: C14H14N4O5S
MW: 350.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.35
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass350.06849073
Monoisotopic Mass350.06849073
Topological Polar Surface Area141 Ų
Heavy Atom Count24
Formal Charge0
Complexity611
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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