Ro 51 - Moligand™, ≥98%(HPLC) , Antagonist of P2X3, CAS No.1050670-85-3, Antagonist of P2X3

CAS: 1050670-85-3 Cat. No.: R288542 Summenformel: C17H23IN4O4 Molekulargewicht: 474.29 PubChem CID: 24883277
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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. ≥98%(HPLC)
Synonyms
2-[[4-Amino-5-[5-iodo-4-methoxy-2-(1-methylethyl)phenoxy]-2,4-pyrimidinyl]amino]-1,3-propanediol
Storage
Store at 2-8°C
Shipped In
Wet ice
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Size
Deutschland (EU)
USA*
Price
Qty
10mg
R288542-10mg
Auf Bestellung · 8–12 Wochen
409,49€
50mg
R288542-50mg
Auf Bestellung · 8–12 Wochen
1.718,04€
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice 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

Synonyme
2-[[4-Amino-5-[5-iodo-4-methoxy-2-(1-methylethyl)phenoxy]-2,4-pyrimidinyl]amino]-1,3-propanediol
Spezifikationen & Reinheit
Moligand™, ≥98%(HPLC)
Biochemische und physiologische Mechanismen
Potent, dual P2X3and P2X2/3antagonist (IC50values are 2 and 5 nM for rP2X3and hP2X2/3respectively). Selective for P2X3and P2X2/3over other P2X receptors (IC50values are > 10μM for P2X1, P2X2, P2X4, P2X5, and P2X7). Cell permeable.
Storage
Store at 2-8°C
Verschickt in
Wet ice
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Note
Moligand™
Aktionsart
ANTAGONIST
Mechanismus der Wirkung
Antagonist of P2X3
Reinheit
≥98%(HPLC)
Namen und Kennungen
Kanonisches LächelnCC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)NC(CO)CO)I)OC
IUPAC Name2-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]propane-1,3-diol
InChIKeyPAYROHWFGZADBR-UHFFFAOYSA-N
INCHI1S/C17H23IN4O4/c1-9(2)11-4-14(25-3)12(18)5-13(11)26-15-6-20-17(22-16(15)19)21-10(7-23)8-24/h4-6,9-10,23-24H,7-8H2,1-3H3,(H3,19,20,21,22)
Isomere SMILES CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)NC(CO)CO)I)OC
PubChem CID 24883277
Molekulargewicht 474.29

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
KlasseOrganooxygen compounds
SubclassEthers
Intermediate Tree Nodes Not available
Direct ParentDiarylethers
Alternative Parents Cumenes  Phenylpropanes  Anisoles  Methoxybenzenes  Phenoxy compounds  Alkyl aryl ethers  Aminopyrimidines and derivatives  Secondary alkylarylamines  Iodobenzenes  Imidolactams  Aryl iodides  Heteroaromatic compounds  Azacyclic compounds  Hydrocarbon derivatives  Primary amines  Primary alcohols  Organoiodides  Organopnictogen compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Diaryl ether - Cumene - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Iodobenzene - Secondary aliphatic/aromatic amine - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Secondary amine - Organoiodide - Organohalogen compound - Organopnictogen compound - Amine - Organic nitrogen compound - Alcohol - Organonitrogen compound - Hydrocarbon derivative - Primary alcohol - Primary amine - Aromatic heteromonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
P2RX3 Tclin P2X purinoceptor 3 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
P2RX5 Tchem P2X purinoceptor 5 (52 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RX4 Tchem P2X purinoceptor 4 (516 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RX7 Tchem P2X purinoceptor 7 (5534 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RX1 Tchem P2X purinoceptor 1 (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
P2rx2 P2X purinoceptor 2 (106 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2rx3 P2X purinoceptor 3 (632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 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
LöslichkeitSolvent:DMSO, Max Conc. mg/mL: 47.43, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 47.43, Max Conc. mM: 100
Molekulargewicht474.300 g/mol
XLogP32.100
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass474.076 Da
Monoisotopic Mass474.076 Da
Topological Polar Surface Area123.000 Ų
Heavy Atom Count26
Formal Charge0
Complexity416.000
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 the purity of this product, and how is it determined?
This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.
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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.
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 1050670-85-3, the molecular formula is C??H??IN?O?, and the molecular weight is 474.29 g/mol. InChIKey PAYROHWFGZADBR-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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