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MSX-2 - Moligand™ , Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor, CAS No.261717-18-4, Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor

CAS: 261717-18-4 Cat. No.: M612099 PubChem CID: 10046145
COA
MSX-2 - Moligand™ , Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor, CAS No.261717-18-4, Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor
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
MSX-2|261717-18-4|CHEMBL413079|3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl]-7-methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione|3-(3-hydroxypropyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynylpurine-2,6-dione|GTPL5610|SCHEMBL1755147|DT
Storage
Room temperature
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5mg
M612099-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,142.90

$1,334.90
Save $192.00 (14.38%)
25mg
M612099-25mg
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$1,714.90

$2,000.90
Save $286.00 (14.29%)
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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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
MSX-2 | 261717-18-4 | CHEMBL413079 | 3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl]-7-methyl-1-prop-2-ynyl-3, 7-dihydro-purine-2, 6-dione | 3-(3-hydroxypropyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynylpurine-2, 6-dione | GTPL5610 | SCHEMBL1755147 | DT
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
ANTAGONIST
Mechanism of action
Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor
Names and Identifiers
Canonical SmilesCN1C(=NC2=C1C(=O)N(C(=O)N2CCCO)CC#C)C=CC3=CC(=CC=C3)OC
IUPAC Name3-(3-hydroxypropyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynylpurine-2,6-dione
InChIKeyFWLDDFYHEQMIGG-MDZDMXLPSA-N
INCHI1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+
Isomeric SMILES CN1C(=NC2=C1C(=O)N(C(=O)N2CCCO)CC#C)/C=C/C3=CC(=CC=C3)OC
Alternate CAS 261717-18-4
PubChem CID 10046145

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.

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📊 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
SuperclassOrganoheterocyclic compounds
ClassImidazopyrimidines
SubclassPurines and purine derivatives
Intermediate Tree Nodes Not available
Direct ParentXanthines
Alternative Parents 6-oxopurines  Alkaloids and derivatives  Anisoles  Methoxybenzenes  Phenoxy compounds  Styrenes  Alkyl aryl ethers  Pyrimidones  N-substituted imidazoles  Heteroaromatic compounds  Vinylogous amides  Lactams  Ureas  Acetylides  Azacyclic compounds  Alkanolamines  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Primary alcohols  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Urea - Lactam - Alkanolamine - Azacycle - Acetylide - Ether - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Primary alcohol - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis 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 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)
ADORA2B Tclin Adenosine receptor A2b (0 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 (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
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 Weight394.400 g/mol
XLogP31.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass394.164 Da
Monoisotopic Mass394.164 Da
Topological Polar Surface Area87.900 Ų
Heavy Atom Count29
Formal Charge0
Complexity687.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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