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

CAS: 1050670-85-3 Cat. No.: R288542 Molecular Weight: 474.29 PubChem CID: 24883277
COA
Ro 51 - Moligand™, ≥98%(HPLC) CAS No(1050670-85-3) by Aladdin Scientific
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. ≥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
Status
Price
Qty
10mg
R288542-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$471.90
50mg
R288542-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,979.90
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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) Associated Targets(non-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™, ≥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

Synonyms
2-[[4-Amino-5-[5-iodo-4-methoxy-2-(1-methylethyl)phenoxy]-2, 4-pyrimidinyl]amino]-1, 3-propanediol
Specifications & Purity
Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms
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
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
ANTAGONIST
Mechanism of action
Antagonist of P2X3
Purity
≥98%(HPLC)
Names and Identifiers
Canonical SmilesCC(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)
Isomeric SMILES CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)NC(CO)CO)I)OC
PubChem CID 24883277
Molecular Weight 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.

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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
SuperclassOrganic oxygen compounds
ClassOrganooxygen 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
DescriptionThis 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 Structure
Interactive Chemical Structure Model





Associated Targets(Human)
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
Associated Targets(non-human)
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
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
SolubilitySolvent:DMSO, Max Conc. mg/mL: 47.43, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 47.43, Max Conc. mM: 100
Molecular Weight474.300 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
Solution Calculators
Reviews

Customer Reviews

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