PSB 0788 - Moligand™, ≥98%(HPLC) , Antagonist of A 2B receptor, CAS No.1027513-54-7, Antagonist of A 2B receptor

CAS: 1027513-54-7 Cat. No.: P286873 Formula: C25H27ClN6O4S Peso molecolare: 543.04 PubChem CID: 44186581
Disponibile su ordine
QUALITÀ & PUREZZA Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
Synonyms
8-[4-[4-(4-Chlorobenzyl)piperazide-1-sulfonyl)phenyl]]-1-propylxanthine
Storage
Store at 2-8°C
Shipped In
Wet ice
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Dimensione
Germania (EU)
USA*
Prezzo
Qtà
10mg
P286873-10mg
Su ordinazione · 8–12 settimane
385,19€
50mg
P286873-50mg
Su ordinazione · 8–12 settimane
1.542,75€
Enter a quantity for the sizes you want to add.

Specifiche

Sinonimi
8-[4-[4-(4-Chlorobenzyl)piperazide-1-sulfonyl)phenyl]]-1-propylxanthine
Specifiche e purezza
Moligand™, ≥98%(HPLC)
Meccanismi biochimici e fisiologici
Potent and selective adenosine A2Breceptor antagonist (IC50= 3.64 nM at human A2Breceptors). Displays > 100-fold selectivity over hA1, hA2Aand hA3receptors.
Condizioni di conservazione di stoccaggio
Store at 2-8°C
Spedito in
Wet ice
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Grado
Moligand™
Tipo di azione
ANTAGONIST
Meccanismo d'azione
Antagonist of A 2B receptor
Purezza
≥98%(HPLC)
Nomi e identificatori
Sorrisi canonici
CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=C(C=C5)Cl
IUPAC Name
8-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione
InChIKey
JQZJACVYMPKVDS-UHFFFAOYSA-N
INCHI
1S/C25H27ClN6O4S/c1-2-11-32-24(33)21-23(29-25(32)34)28-22(27-21)18-5-9-20(10-6-18)37(35,36)31-14-12-30(13-15-31)16-17-3-7-19(26)8-4-17/h3-10H,2,11-16H2,1H3,(H,27,28)(H,29,34)
Isomeri SMILES
CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=C(C=C5)Cl
PubChem CID
44186581
Peso molecolare
543.04

Dati avanzati

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseImidazopyrimidines
SubclassPurines and purine derivatives
Intermediate Tree Nodes Not available
Direct ParentXanthines
Alternative Parents Phenylimidazoles  6-oxopurines  Benzenesulfonamides  Alkaloids and derivatives  Benzenesulfonyl compounds  Benzylamines  Phenylmethylamines  Pyrimidones  Aralkylamines  Chlorobenzenes  N-alkylpiperazines  Aryl chlorides  Organosulfonamides  Heteroaromatic compounds  Vinylogous amides  Sulfonyls  Lactams  Ureas  Trialkylamines  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organooxygen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2-phenylimidazole - Xanthine - 6-oxopurine - Benzenesulfonamide - Purinone - Benzenesulfonyl group - Alkaloid or derivatives - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - Pyrimidone - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Monocyclic benzene moiety - Aryl chloride - Organosulfonic acid amide - Aryl halide - Benzenoid - Piperazine - Pyrimidine - Imidazole - Azole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Urea - Lactam - Azacycle - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
ADORA2B Tclin Adenosine receptor A2b (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA2A Tclin Adenosine A2a receptor (16305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA2B Tclin Adenosine A2b receptor (7672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA3 Tchem Adenosine A3 receptor (15931 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
SolubilitàSolvent:DMSO, Max Conc. mg/mL: 54.3, Max Conc. mM: 100
Peso molecolare543.000 g/mol
XLogP33.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass542.15 Da
Monoisotopic Mass542.15 Da
Topological Polar Surface Area127.000 Ų
Heavy Atom Count37
Formal Charge0
Complexity924.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Domande frequenti

What is the purity of this product, and how is it determined?
This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.
What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1027513-54-7, the molecular formula is C??H??ClN?O?S, and the molecular weight is 543.04 g/mol. InChIKey JQZJACVYMPKVDS-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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