MRS 1706 - Moligand™, ≥96%(HPLC) , Antagonist of A 2B receptor, CAS No.264622-53-9, Antagonist of A 2B receptor

CAS: 264622-53-9 Cat. No.: M286944 Formule: C27H29N5O5 Poids moléculaire: 503.56
DISPONIBLE À COMMANDE
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥96%(HPLC)
Synonyms
SCHEMBL1223972 | SR-01000597590 | Acetamide, N-(4-acetylphenyl)-2-(4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy)- | A16868 | Tocris-1584 | NCGC00025221-01 | SR-01000597590-1 | N-(4-Acetyl-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-
Storage
A conserver entre 2 et 8°C
Shipped In
Glace humide
★
Size
Allemagne (EU)
USA*
Price
Qty
1mg
M286944-1mg
—
2 En stock

22,47€

33,76€
Enregistrer 11,28 € (33.42%)
5mg
M286944-5mg
—
2 En stock

84,08€

126,60€
Enregistrer 42,52 € (33.58%)
10mg
M286944-10mg
—
2 En stock

138,75€

208,17€
Enregistrer 69,42 € (33.35%)
25mg
M286944-25mg
—
2 En stock

303,62€

455,48€
Enregistrer 151,85 € (33.34%)
50mg
M286944-50mg
—
2 En stock

546,59€

819,93€
Enregistrer 273,34 € (33.34%)
100mg
M286944-100mg
—
2 En stock

983,93€

1 475,94€
Enregistrer 492,01 € (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

Moligand™, ≥96%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

A conserver entre 2 et 8°C Ships Glace humide Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes
SCHEMBL1223972 | SR-01000597590 | Acetamide, N-(4-acetylphenyl)-2-(4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy)- | A16868 | Tocris-1584 | NCGC00025221-01 | SR-01000597590-1 | N-(4-Acetyl-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-
Spécifications et pureté
Moligand™, ≥96%(HPLC)
Mécanismes biochimiques et physiologiques
Agoniste inverse puissant et sélectif des récepteurs A2B de l'adénosine (les valeurs K sont respectivement de 1,39, 157, 112 et 230 nM pour les récepteurs A2B, A1, A2A et A3 humains).
Conditions de stockage de stockage
A conserver entre 2 et 8°C
Expédié en
Glace humide
Grade
Moligand™
Type d'action
ANTAGONIST
Mécanisme d'action
Antagonist of A 2B receptor
Pureté
≥96%(HPLC)
Noms et identifiants
Pubchem Sid488195107
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488195107
Sourires canoniquesCCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C(=O)C
IUPAC NameN-(4-acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
InChIKeyZKUCFFYOQOJLGT-UHFFFAOYSA-N
INCHI1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)
Isomères SMILES CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C(=O)C
Poids moléculaire 503.56
Reaxy-Rn 8596654
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8596654&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClasseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Xanthines  Phenylimidazoles  6-oxopurines  Acetophenones  Alkaloids and derivatives  Anilides  Aryl alkyl ketones  Benzoyl derivatives  N-arylamides  Phenol ethers  Phenoxy compounds  Alkyl aryl ethers  Pyrimidones  Heteroaromatic compounds  Vinylogous amides  Ureas  Lactams  Secondary carboxylic acid amides  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Alkyl-phenylketone - 2-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Acetophenone - Purine - Alkaloid or derivatives - Anilide - Phenoxy compound - Benzoyl - Phenol ether - N-arylamide - Aryl alkyl ketone - Pyrimidone - Alkyl aryl ether - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Urea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
CYP2D6 Tclin Cytochrome P450 2D6 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADORA2B Tclin Adenosine receptor A2b (2 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
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA2B Tclin Adenosine receptors; A2b & A3 (335 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Adora2b Adenosine A2 receptor (1828 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
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.

14 results found

Lot NumberCertificate TypeDateArticle
C2626060Certificate of AnalysisApr 13, 2026 M286944
C2618229Certificate of AnalysisMar 27, 2026 M286944
B2306276Certificate of AnalysisOct 30, 2025 M286944
B2306277Certificate of AnalysisOct 30, 2025 M286944
B2306278Certificate of AnalysisOct 30, 2025 M286944
B2306280Certificate of AnalysisOct 30, 2025 M286944
B2306281Certificate of AnalysisOct 30, 2025 M286944
B2306283Certificate of AnalysisOct 30, 2025 M286944
B2306286Certificate of AnalysisOct 30, 2025 M286944
B2306289Certificate of AnalysisOct 30, 2025 M286944
B2306291Certificate of AnalysisOct 30, 2025 M286944
B2306292Certificate of AnalysisOct 30, 2025 M286944
B2306293Certificate of AnalysisOct 30, 2025 M286944
B2306294Certificate of AnalysisOct 30, 2025 M286944

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Propriétés chimiques et physiques
SolubilitéSolvent:DMSO, Max Conc. mg/mL: 2.52, Max Conc. mM: 5
Poids moléculaire503.500 g/mol
XLogP34.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass503.217 Da
Monoisotopic Mass503.217 Da
Topological Polar Surface Area125.000 Ų
Heavy Atom Count37
Formal Charge0
Complexity837.000
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
Calculateurs de solution
Avis

Avis des clients

Foire aux questions

What is the purity of this product, and how is it determined?
This product is supplied at ≥96% 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. Refrigerated storage is required to maintain the specified shelf life.
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 264622-53-9, the molecular formula is C27H29N5O5, and the molecular weight is 503.56 g/mol. InChIKey ZKUCFFYOQOJLGT-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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