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PSB-1901

CAT: 0013-GTR19210340-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210340-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PSB-1901 is a highly potent and selective A2B adenosine receptor antagonist, exhibiting picomolar affinity and over 10,000-fold selectivity for both human and mouse receptors. This profile makes it an excellent preclinical tool compound for investigating A2BAR roles in cancer, inflammation, and fibrosis in cellular and animal models.
CAS Number
2332835-02-4
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.65% (May vary between batches)
Smiles
O=C1NC=2N=C (NC2C (=O) N1CCC) C=3C=CC (=CC3) S (=O) (=O) N4CCN (C5=CC=C (Br) C=C5) CC4
Molecular Formula
C24H25BrN6O4S
Molecular Weight
573.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-[4-[4-(4-Bromophenyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione
CAS Number2332835-02-4
PubChem CID155555721
IUPAC Name8-[4-[4-(4-bromophenyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione
Molecular FormulaC24H25BrN6O4S
Molecular Weight573.5
XLogP3.4
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity908
SMILES
CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C24H25BrN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)
InChIKey
UGKYSTLSSKLXJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-[4-[4-(4-Bromophenyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione
CAS: 2332835-02-4
CID: 155555721
Formula: C24H25BrN6O4S
MW: 573.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight573.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass572.08414
Monoisotopic Mass572.08414
Topological Polar Surface Area127 Ų
Heavy Atom Count36
Formal Charge0
Complexity908
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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