AF-353 - Moligand™, ≥98% , Antagonist of P2X3, CAS No.865305-30-2, Antagonist of P2X3

CAS: 865305-30-2 Cat. No.: A412365 Summenformel: C14H17IN4O2 Molekulargewicht: 400.21
Zu bestellen verfügbar
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%
Synonyms
5-[5-Iodo-4-methoxy-2-(propan-2-yl)phenoxy]pyrimidine-2,4-diamine | 2,4-Pyrimidinediamine, 5-[5-iodo-4-methoxy-2-(1-methylethyl)phenoxy]- | GTPL4125 | S0405 | BDBM50257636 | F0516 | SS-4681 | AKOS026750345 | (4-(morpholinomethyl)pbenyl)boronic acid | AF-3
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
Size
Deutschland (EU)
USA*
Price
Qty
5mg
A412365-5mg
2 Auf Lager

25,08€

38,09€
Speichern 13,02 € (34.17%)
25mg
A412365-25mg
2 Auf Lager

92,76€

139,62€
Speichern 46,86 € (33.56%)
50mg
A412365-50mg
2 Auf Lager

155,24€

233,34€
Speichern 78,10 € (33.47%)
100mg
A412365-100mg
2 Auf Lager

264,57€

397,34€
Speichern 132,76 € (33.41%)
250mg
A412365-250mg
Auf Bestellung · 8–12 Wochen

449,40€

674,15€
Speichern 224,74 € (33.34%)
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

Übersicht

Information

AF-353 AF-353 (Ro-4) is a potent, selective and orally bioavailable antagonist of P2X3 receptor and P2X2/3 receptor with pIC50 of 8.06, 8.05 and 7.41 for human P2X3, rat P2X3 and human P2X2/3, respectively.


Targets

hP2X3 (Cell-free assay); rP2X3 (Cell-free assay); hP2X2/3 (Cell-free assay) 8.06(pIC50); 8.05(pIC50); 7.41(pIC50)

Specifications

Synonyme
5-[5-Iodo-4-methoxy-2-(propan-2-yl)phenoxy]pyrimidine-2,4-diamine | 2,4-Pyrimidinediamine, 5-[5-iodo-4-methoxy-2-(1-methylethyl)phenoxy]- | GTPL4125 | S0405 | BDBM50257636 | F0516 | SS-4681 | AKOS026750345 | (4-(morpholinomethyl)pbenyl)boronic acid | AF-3
Spezifikationen & Reinheit
Moligand™, ≥98%
Biochemische und physiologische Mechanismen
AF-353 (Ro-4) is a potent, selective and orally bioavailable antagonist of P2X3 receptor and P2X2/3 receptor with pIC50 of 8.06, 8.05 and 7.41 for human P2X3, rat P2X3 and human P2X2/3, respectively.
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 P2X3
Reinheit
≥98%
Produkteigenschaften
ALogP2.934
hba_count4
HBD-Zahl2
Rotationsfähige Bindung4
Namen und Kennungen
Pubchem Sid504767990
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504767990
Kanonisches LächelnCC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)N)I)OC
IUPAC Name5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
InChIKeyAATPYXMXFBBKFO-UHFFFAOYSA-N
INCHI1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
Isomere SMILES CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)N)I)OC
Molekulargewicht 400.21
Reaxy-Rn 10457650
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10457650&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
KlasseOrganooxygen compounds
SubclassEthers
Intermediate Tree Nodes Not available
Direct ParentDiarylethers
Alternative Parents Phenylpropanes  Cumenes  Phenoxy compounds  Anisoles  Methoxybenzenes  Alkyl aryl ethers  Aminopyrimidines and derivatives  Iodobenzenes  Imidolactams  Aryl iodides  Heteroaromatic compounds  Azacyclic compounds  Hydrocarbon derivatives  Organoiodides  Organopnictogen compounds  Primary amines  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Diaryl ether - Cumene - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Iodobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Aryl iodide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organoiodide - Organohalogen compound - 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)
HRH2 Tclin Histamine H2 receptor (5428 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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
HTR6 Tchem Serotonin 6 (5-HT6) receptor (9749 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RX2 Tchem P2X2/P2X3 heterotrimeric receptor (633 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
rep Replicase polyprotein 1ab (378 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:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDatumArtikel
C2311895Certificate of AnalysisDec 10, 2025 A412365
C2311896Certificate of AnalysisDec 10, 2025 A412365
C2311897Certificate of AnalysisDec 10, 2025 A412365
C2311898Certificate of AnalysisDec 10, 2025 A412365
Chemische und physikalische Eigenschaften
LöslichkeitSolubility (25°C) In vitro DMSO: 100 mg/mL (249.86 mM); Ethanol: 4 mg/mL (9.99 mM); Water: Insoluble;
DMSO (mg/ml) Maximale Löslichkeit100
DMSO (mM) Maximale Löslichkeit249.868818870093
Wasser (mg/ml) Maximale Löslichkeit<1
Molekulargewicht400.210 g/mol
XLogP32.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass400.04 Da
Monoisotopic Mass400.04 Da
Topological Polar Surface Area96.300 Ų
Heavy Atom Count21
Formal Charge0
Complexity334.000
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?
This product is supplied at ≥98% purity (chemical assay). 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 ?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 865305-30-2, the molecular formula is C14H17IN4O2, and the molecular weight is 400.21 g/mol. InChIKey AATPYXMXFBBKFO-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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