PSB 603 - Moligand™, ≥98%(HPLC) , Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor, CAS No.1092351-10-4, Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor

CAS: 1092351-10-4 Cat. No.: P287161 Formule: C₂₄H₂₅ClN₆O₄S Poids moléculaire: 529.01 Numéro CE: 873-191-9 PubChem CID: 44185871

QUALITÉ & PURETÉ Moligand™, ≥98%(HPLC)

Synonyms

BDBM50268232 | GTPL5728 | 8-(4-((4-(4-chlorophenyl)piperazin-1-yl)sulfonyl)phenyl)-2-hydroxy-1-propyl-1H-purin-6(7H)-one | 8-[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione | HY-103166 | AKOS024457472 | SCHEMBL208

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

BDBM50268232 | GTPL5728 | 8-(4-((4-(4-chlorophenyl)piperazin-1-yl)sulfonyl)phenyl)-2-hydroxy-1-propyl-1H-purin-6(7H)-one | 8-[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione | HY-103166 | AKOS024457472 | SCHEMBL208

Spécifications et pureté

Moligand™, ≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Adenosine A2Breceptor antagonist that displays > 17000-fold selectivity over other adenosine receptors (Kivalues are 0.553, > 10000, > 10000 and > 10000 nM for A2B, A1, A2Aand A3receptors respectively).

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor

Pureté

≥98%(HPLC)

Noms et identifiants

Sourires canoniques

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)Cl

IUPAC Name

8-[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione

InChIKey

OVHCTHHFOHMNFV-UHFFFAOYSA-N

INCHI

1S/C24H25ClN6O4S/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)

Isomères 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)Cl

CAS alternatif

1092351-10-4

PubChem CID

44185871

Termes d'entrée MeSH

8-(4-(4-(4-chlorophenyl)piperazine-1-sulfonyl)phenyl)-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione;psb-603

Poids moléculaire

529.01

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Xanthines Phenylimidazoles 6-oxopurines Benzenesulfonamides Alkaloids and derivatives Benzenesulfonyl compounds Aniline and substituted anilines Dialkylarylamines Pyrimidones Chlorobenzenes Aryl chlorides Organosulfonamides Heteroaromatic compounds Vinylogous amides Sulfonyls Ureas Lactams Azacyclic compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Phenylpiperazine - Xanthine - 2-phenylimidazole - 6-oxopurine - Benzenesulfonamide - Purinone - Benzenesulfonyl group - Imidazopyrimidine - Alkaloid or derivatives - Purine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Halobenzene - Pyrimidone - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Organosulfonic acid amide - Sulfonyl - Vinylogous amide - Azole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Imidazole - Heteroaromatic compound - Urea - Tertiary amine - Lactam - Azacycle - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 26.45, Max Conc. mM: 50
• Poids moléculaire: 529.000 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 528.135 Da
• Monoisotopic Mass: 528.135 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 908.000
• 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