[³H]PSB603 - Moligand™ , Antagonist of A 2B receptor, CAS No.H614210, Antagonist of A 2B receptor

CAS: H614210 Cat. No.: H614210 PubChem CID: 44185871

GRAU & PUREZA Moligand™

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

Room temperature

Especificações

Sinónimos

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

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

ANTAGONIST

Mecanismo de ação

Antagonist of A 2B receptor

Nomes e identificadores

Sorrisos canónicos

CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl

IUPAC Name

8-{4-[4-(4-chlorophenyl)piperazine-1-sulfonyl]phenyl}-1-propyl-2,3,6,7-tetrahydro-1H-purine-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)

SMILES isoméricas

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

PubChem CID

44185871

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
• Descrição: 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

Alvos associados (humanos)

ADORA2A Tclin Adenosine receptor A2a (0 Activities)

Discover Target: ADORA2A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADORA2B Tclin Adenosine receptor A2b (9 Activities)

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ADORA1 Tclin Adenosine receptor A1 (0 Activities)

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ADORA3 Tchem Adenosine receptor A3 (0 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

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ADORA2B Tclin Adenosine A2b receptor (7672 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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DU-145 (51482 Activities)

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PC-3 (62116 Activities)

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A549 (127892 Activities)

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LNCaP (8286 Activities)

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Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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rep Replicase polyprotein 1ab (378 Activities)

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Zika virus (1028 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 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

Perguntas frequentes

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 room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is H614210. InChIKey OVHCTHHFOHMNFV-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.