1,3-Dipropylxanthine - Moligand™ , Antagonist of A 2A receptor;Antagonist of A 2B receptor, CAS No.31542-62-8, Antagonist of A 2A receptor;Antagonist of A 2B receptor

CAS: 31542-62-8 Cat. No.: D341179 Summenformel: C11H16N4O2 Molekulargewicht: 236.27
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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.
Synonyms
BDBM82032 | AKOS016004647 | Calcium chloride, anhydrous, free-flowing, Redi-Dri(TM), ACS reagent, >=96% | PDSP2_000326 | 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl- | J-018455 | GTPL427 | MJVIGUCNSRXAFO-UHFFFAOYSA-N | 1,3-dipropyl-3,7-dihydro-1h-purine
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Deutschland (EU)
USA*
Price
Qty
50mg
D341179-50mg
Auf Bestellung · 8–12 Wochen
290,61€
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Übersicht

1,3-Dipropylxanthine is a caffeine analog and phosphodiesterase inhibitor that has some selectivity for A2 adenosine receptors.

Specifications

Synonyme
BDBM82032 | AKOS016004647 | Calcium chloride, anhydrous, free-flowing, Redi-Dri(TM), ACS reagent, >=96% | PDSP2_000326 | 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl- | J-018455 | GTPL427 | MJVIGUCNSRXAFO-UHFFFAOYSA-N | 1,3-dipropyl-3,7-dihydro-1h-purine
Spezifikationen & Reinheit
Moligand™
Storage
Store at -20°C
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Note
Moligand™
Aktionsart
ANTAGONIST
Mechanismus der Wirkung
Antagonist of A 2A receptor;Antagonist of A 2B receptor
Namen und Kennungen
Kanonisches Lächeln
CCCN1C2=C(C(=O)N(C1=O)CCC)NC=N2
IUPAC Name
1,3-dipropyl-7H-purine-2,6-dione
InChIKey
MJVIGUCNSRXAFO-UHFFFAOYSA-N
INCHI
1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
Isomere SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)NC=N2
Molekulargewicht
236.27
Reaxy-Rn
253265
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=253265&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
SuperclassOrganoheterocyclic compounds
KlasseImidazopyrimidines
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  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
BeschreibungThis 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
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
ADORA2A Tclin Adenosine receptor A2a (2 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 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
PDE4A Tclin Phosphodiesterase 4 (3344 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Cavia porcellus (23802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Adora2b Adenosine A2 receptor (1828 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
LöslichkeitSoluble in Chloroform, Dichloromethane, DMF, Ethyl Acetate and Methanol
Schmelzpunkt (°C)204-206°C (lit.)
Molekulargewicht236.270 g/mol
XLogP31.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass236.127 Da
Monoisotopic Mass236.127 Da
Topological Polar Surface Area69.300 Ų
Heavy Atom Count17
Formal Charge0
Complexity321.000
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
Lösungsrechner
Bewertungen

Kundenbewertungen

Häufig gestellte Fragen

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. 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 31542-62-8, the molecular formula is C11H16N4O2, and the molecular weight is 236.27 g/mol. InChIKey MJVIGUCNSRXAFO-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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