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PSB 1115 - 95%, high purity , CAS No.152529-79-8, Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor

COA COA
In stock
Item Number
P288663
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SKU Size
Availability
 Price Qty
P288663-5mg
5mg
3
$103.90
P288663-10mg
10mg
2
$158.90
P288663-25mg
25mg
2
$356.90
P288663-50mg
50mg
1
$677.90
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Selective human A2Bantagonist; water-soluble

View related series
A1 receptor Antagonist (61) A2A receptor Antagonist (61) A2B receptor Antagonist (58) A3 receptor Antagonist (58) Adenosine Receptor (113) Class A GPCR (4138) GPCR/G Protein (3172)

Basic Description

Synonyms CHEBI:92848 | GTPL3286 | compound 17 [PMID: 11906291] | EX-A7843 | AKOS024456909 | SCHEMBL1223271 | SR-01000597529-1 | Q27088472 | PSB 1115 | HMS3677C03 | PSB1115 | PSB-1115 | BRD-K49027941-237-01-1 | NCGC00025344-01 | DTXSID80415532 | Tocris-2009 | BDBM5
Specifications & Purity Moligand™, ≥95%
Biochemical and Physiological Mechanisms Highly selective, water-soluble, human A2Badenosine receptor antagonist. Kivalues are 53.4, > 10000 and > 10000 nM at human A2B, A1and A3receptors respectively. Also selective versus rat A1and A2Areceptors (Kivalues are 2200 and 24000 nM respectively). Pr
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type ANTAGONIST
Mechanism of action Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Imidazopyrimidines
Subclass Purines and purine derivatives
Intermediate Tree Nodes Not available
Direct Parent Xanthines
Alternative Parents Phenylimidazoles  6-oxopurines  Benzenesulfonic acids and derivatives  1-sulfo,2-unsubstituted aromatic compounds  Alkaloids and derivatives  Benzenesulfonyl compounds  Pyrimidones  Vinylogous amides  Sulfonyls  Organosulfonic acids  Heteroaromatic compounds  Ureas  Lactams  Azacyclic compounds  Hydrocarbon derivatives  Organopnictogen compounds  Organic oxides  Organonitrogen compounds  Organooxygen compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents 2-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Alkaloid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous amide - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors Not available

Associated Targets(Human)

ADORA2A Tclin Adenosine receptor A2a (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ADORA2B Tclin Adenosine receptor A2b (6 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ADORA1 Tclin Adenosine receptor A1 (2 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ADORA3 Tchem Adenosine receptor A3 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA2A Tclin Adenosine A2a receptor (16305 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA2B Tclin Adenosine A2b receptor (7672 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA3 Tchem Adenosine A3 receptor (15931 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GLA Tclin Alpha-galactosidase A (5444 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Cruzipain (33337 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Impa1 Inositol monophosphatase 1 (16203 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FTL Ferritin light chain (43324 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Adora2b Adenosine A2 receptor (1828 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid
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
Smiles CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)O
Isomeric SMILES CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)O
PubChem CID 5311479
Molecular Weight 350.35

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number Certificate Type Date Item
B2427033 Certificate of Analysis Jan 20, 2024 P288663
B2427034 Certificate of Analysis Jan 20, 2024 P288663
B2427035 Certificate of Analysis Jan 20, 2024 P288663
B2427037 Certificate of Analysis Jan 20, 2024 P288663
B2427038 Certificate of Analysis Jan 20, 2024 P288663
B2427032 Certificate of Analysis Jan 20, 2024 P288663
B2427036 Certificate of Analysis Jan 20, 2024 P288663
B2427039 Certificate of Analysis Jan 20, 2024 P288663

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 38.84, Max Conc. mM: 100; Solvent:water, Max Conc. mg/mL: 7.77, Max Conc. mM: 20 with gentle warming
Molecular Weight 350.350 g/mol
XLogP3 0.700
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 350.068 Da
Monoisotopic Mass 350.068 Da
Topological Polar Surface Area 141.000 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 611.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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