PSB 36 - Moligand™, ≥99%(HPLC) , Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor, CAS No.524944-72-7, Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor

CAS: 524944-72-7 Cat. No.: P288227 Fórmula: C21H30N4O3 Peso molecular: 386.49 PubChem CID: 11689583
Disponível para encomenda
GRAU & PUREZA Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%(HPLC)
Synonyms
HMS3413C13 | BRD-A70407468-001-01-2 | GTPL3285 | MS-26391 | PSB 36 | SCHEMBL4397296 | Q27088473 | 1-Butyl-3-(3-hydroxypropyl)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione | BDBM50550813 | HMS3268H03 | HY-103175 | 1-butyl-8-(3-noradamantyl)-3-(3-h
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
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Tamanho
Alemanha (EU)
USA*
Preço
Qtd
10mg
P288227-10mg
Sob encomenda · 8–12 semanas
493,66€
50mg
P288227-50mg
Sob encomenda · 8–12 semanas
2013,07€
Enter a quantity for the sizes you want to add.
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Por que este grau

Moligand™, ≥99%(HPLC) Moligand™ para fluxos de trabalho cromatográficos e analíticos sensíveis que exigem interferência mínima da linha de base.

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Armazenamento e envio

Store at 2-8°C,Desiccated Envio Wet ice. Consulte o COA específico do lote para obter as especificações exatas.

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Documentos de qualidade

SDS, COA, ficha técnica e folha de especificações disponíveis para download. COA específico do lote acessível por meio de pesquisa por número de lote.

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Comprovação documental

Citado em 0 publicações revisadas por pares nas áreas de cromatografia, síntese orgânica e reações de acoplamento cruzado.

Especificações

Sinónimos
HMS3413C13 | BRD-A70407468-001-01-2 | GTPL3285 | MS-26391 | PSB 36 | SCHEMBL4397296 | Q27088473 | 1-Butyl-3-(3-hydroxypropyl)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione | BDBM50550813 | HMS3268H03 | HY-103175 | 1-butyl-8-(3-noradamantyl)-3-(3-h
Especificações e pureza
Moligand™, ≥99%(HPLC)
Mecanismos bioquímicos e fisiológicos
Potent and selective A1adenosine receptor antagonist. Displays binding affinities of 0.12, 187, 552, 6500 and 2300 nM for rA1, hA2B, rA2A, rA3and hA3receptors respectively. Demonstrates greater selectivity thanDPCPX.
Condições de armazenamento de armazenamento
Store at 2-8°C,Desiccated
Enviado em
Wet ice
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Grau
Moligand™
Tipo de ação
ANTAGONIST
Mecanismo de ação
Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor
Pureza
≥99%(HPLC)
Nomes e identificadores
Sorrisos canónicos
CCCCN1C(=O)C2=C(N=C(N2)C34CC5CC(C3)CC4C5)N(C1=O)CCCO
IUPAC Name
1-butyl-3-(3-hydroxypropyl)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione
InChIKey
CIBIXJYFYPFMTN-UHFFFAOYSA-N
INCHI
1S/C21H30N4O3/c1-2-3-5-25-18(27)16-17(24(20(25)28)6-4-7-26)23-19(22-16)21-11-13-8-14(12-21)10-15(21)9-13/h13-15,26H,2-12H2,1H3,(H,22,23)
SMILES isoméricas
CCCCN1C(=O)C2=C(N=C(N2)C34CC5CC(C3)CC4C5)N(C1=O)CCCO
WGK Alemanha
3
PubChem CID
11689583
Peso molecular
386.49

Documentação

📋 Ficha de dados de segurança (FDS)

Documento abrangente sobre perigos, manuseamento, armazenamento e conformidade regulamentar.

<<<<<<< HEAD Baixar SDS → ======= Baixar SDS → >>>>>>> release248-p3

✅ Certificado de análise (COA)

Dados de qualidade específicos do lote. Introduza o número de lote para obter o COA exato.

Consultar COA →

📊 Ficha técnica

Resumo de referência rápida das especificações e aplicações do produto.

Ver ficha técnica →

🔬 Folha de especificações

Atributos de qualidade completos e critérios de aceitação para este grau.

Ver folha de especificações →

Dados avançados

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseImidazopyrimidines
SubclassPurines and purine derivatives
Intermediate Tree Nodes Not available
Direct ParentXanthines
Alternative Parents 6-oxopurines  Alkaloids and derivatives  Pyrimidones  Vinylogous amides  Imidazoles  Heteroaromatic compounds  Ureas  Lactams  Azacyclic compounds  Alkanolamines  Primary alcohols  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Pyrimidine - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Alkanolamine - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
ADORA2A Tclin Adenosine receptor A2a (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADORA2B Tclin Adenosine receptor A2b (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADORA1 Tclin Adenosine receptor A1 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADORA3 Tchem Adenosine receptor A3 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
SolubilidadeSolvent:DMSO, Max Conc. mg/mL: 38.65, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 38.65, Max Conc. mM: 100
Peso molecular386.500 g/mol
XLogP34.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass386.232 Da
Monoisotopic Mass386.232 Da
Topological Polar Surface Area89.500 Ų
Heavy Atom Count28
Formal Charge0
Complexity642.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

Avaliações dos Clientes

Perguntas frequentes

What is the purity of this product, and how is it determined?
This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.
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 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 524944-72-7, the molecular formula is C??H??N?O?, and the molecular weight is 386.49 g/mol. InChIKey CIBIXJYFYPFMTN-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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