apadenoson - Moligand™ , Adenosine A2a receptor agonist, CAS No.250386-15-3, Adenosine A2a receptor agonist

CAS: 250386-15-3 Cat. No.: A607673 Molecular Weight: 486.5
AVAILABLE TO ORDER
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
GAEQWKVGMHUUKO-UHFFFAOYSA-N | APADENOSON [INN] | SCHEMBL13259768 | Apadenoson | Cyclohexanecarboxylic acid, 4-(3-(6-amino-9-(N-ethyl-b-d-ribofuranuronamidosyl)-9H-purin-2-yl)-2-propynyl)-, methyl ester, trans- | ATL 146e | methyl 4-[3-[6-amino-9-[(2R,3R
Storage
Room temperature
Size
USA
Germany (EU)*
Price
Qty
5mg
A607673-5mg
Made to order · 8–12 wks

$1,142.90

$1,397.90
Save $255.00 (18.24%)
25mg
A607673-25mg
Made to order · 8–12 wks

$1,714.90

$2,600.90
Save $886.00 (34.07%)
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

Room temperature Ships 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.

Specifications

Synonyms
GAEQWKVGMHUUKO-UHFFFAOYSA-N | APADENOSON [INN] | SCHEMBL13259768 | Apadenoson | Cyclohexanecarboxylic acid, 4-(3-(6-amino-9-(N-ethyl-b-d-ribofuranuronamidosyl)-9H-purin-2-yl)-2-propynyl)-, methyl ester, trans- | ATL 146e | methyl 4-[3-[6-amino-9-[(2R, 3R
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Adenosine A2a receptor agonist
Product Properties
ALogP0.8
Names and Identifiers
Canonical SmilesCCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)C#CCC4CCC(CC4)C(=O)OC)N)O)O
IUPAC Namemethyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]cyclohexane-1-carboxylate
InChIKeyFLEVIENZILQUKB-DMJMAAGCSA-N
INCHI1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12?,13?,16-,17+,18-,22+/m0/s1
Isomeric SMILES CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C#CCC4CCC(CC4)C(=O)OC)N)O)O
Alternate CAS 250386-15-3
MeSH Entry Terms 4-(3-(6-amino-9-(5-ethylcarbamoyl-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-yl)prop-2-ynyl)cyclohexanecarboxylic acid methyl ester;ATL 146e;ATL-146e;ATL146e;DWH 146e;DWH-146e
Molecular Weight 486.5
Reaxy-Rn 11613521
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11613521&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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassNucleosides, nucleotides, and analogues
ClassPurine nucleosides
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPurine nucleosides
Alternative Parents Glycosylamines  6-aminopurines  Aminopyrimidines and derivatives  N-substituted imidazoles  Imidolactams  Oxolanes  Methyl esters  Heteroaromatic compounds  Secondary carboxylic acid amides  Secondary alcohols  1,2-diols  Amino acids and derivatives  Oxacyclic compounds  Monocarboxylic acids and derivatives  Azacyclic compounds  Primary amines  Organic oxides  Carbonyl compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Imidolactam - N-substituted imidazole - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Methyl ester - Oxolane - 1,2-diol - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Alcohol - Carbonyl group - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ADORA2A Tclin Adenosine receptor A2a (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADORA1 Tclin Adenosine receptor A1 (2 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)
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
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight486.500 g/mol
XLogP30.800
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass486.223 Da
Monoisotopic Mass486.223 Da
Topological Polar Surface Area175.000 Ų
Heavy Atom Count35
Formal Charge0
Complexity839.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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