ARN-509 - Moligand™, ≥98% , Androgen Receptor antagonist, CAS No.956104-40-8, Androgen Receptor antagonist

CAS: 956104-40-8 Cat. No.: A127949 Molecular Weight: 477.43 EC Number: 807-449-9
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%
Synonyms
Uremide | Erleada (TN) | Z2037280438 | Erleada | HY-16060 | 4-{7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl}-2-fluoro-N-methylbenzamide | APALUTAMIDE [MI] | SCHEMBL909297 | CCG-264760 | MFCD22380626 | NCG
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
A127949-5mg
3
$99.90
25mg
A127949-25mg
3
$349.90
100mg
A127949-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$661.90
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.

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Storage & shipping

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

Overview

ARN-509 is a selective and competitive androgen receptor inhibitor with IC50 of 16 nM in a cell-free assay, useful for prostate cancer treatment.

Specifications

Synonyms
Uremide | Erleada (TN) | Z2037280438 | Erleada | HY-16060 | 4-{7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5, 7-diazaspiro[3.4]octan-5-yl}-2-fluoro-N-methylbenzamide | APALUTAMIDE [MI] | SCHEMBL909297 | CCG-264760 | MFCD22380626 | NCG
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms

ARN-509 is an androgen receptor antagonist with potential antineoplastic activity. ARN-509 binds to AR in target tissues thereby preventing androgen-induced receptor activation and facilitating the formation of inactive complexes that can

Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
ANTAGONIST
Mechanism of action
Androgen Receptor antagonist
Purity
≥98%
Product Properties
ALogP3
Names and Identifiers
Canonical SmilesCNC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F)F
IUPAC Name4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide
InChIKeyHJBWBFZLDZWPHF-UHFFFAOYSA-N
INCHI1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)
Isomeric SMILES CNC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F)F
Molecular Weight 477.43
Reaxy-Rn 18291651
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18291651&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
SuperclassOrganoheterocyclic compounds
ClassAzolidines
SubclassImidazolidines
Intermediate Tree Nodes Not available
Direct ParentPhenylimidazolidines
Alternative Parents 2-halobenzoic acids and derivatives  Alpha amino acids and derivatives  N-phenylthioureas  Benzamides  Benzoyl derivatives  Fluorobenzenes  Pyridines and derivatives  Imidazolidinones  Aryl fluorides  Vinylogous halides  Heteroaromatic compounds  Thioureas  Secondary carboxylic acid amides  Nitriles  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Alkyl fluorides  Organofluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylimidazolidine - Alpha-amino acid or derivatives - N-phenylthiourea - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidazolidinone - Pyridine - Heteroaromatic compound - Vinylogous halide - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic oxide - Organohalogen compound - Carbonyl group - Alkyl fluoride - Cyanide - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Alkyl halide - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
AR Tclin Androgen receptor (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LNCaP (8286 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 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
Gabrp GABA-A receptor; anion channel (5731 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:

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

1 results found

Lot NumberCertificate TypeDateItem
D1725131Certificate of AnalysisMay 21, 2026 A127949
Chemical and Physical Properties
SolubilityDMSO 15 mg/mL Ethanol 5 mg/mL
Molecular Weight477.400 g/mol
XLogP33.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass477.088 Da
Monoisotopic Mass477.088 Da
Topological Polar Surface Area121.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity886.000
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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