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Home/Compounds/CAS 956104-40-8
Formula C21H15F4N5O2SMW 477.4Research-use catalog entryCOA/SDS by request

Apalutamide

CAS Number: 956104-40-8

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Loading RDKit molecule structure...
InChIKey: HJBWBFZLDZWPHF-UHFFFAOYSA-NC21H15F4N5O2S | MW 477.4

Chemical Absolute Identifiers

CAS Number

956104-40-8

PubChem CID

24872560

Molecular Formula

C21H15F4N5O2S

Molecular Weight

477.4 g/mol

Exact Mass

477.088259

InChIKey

HJBWBFZLDZWPHF-UHFFFAOYSA-N

IUPAC Name

4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide

SMILES String

CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Apalutamide (CAS 956104-40-8) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C21H15F4N5O2S and molecular weight 477. 40 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Pharmaceutical Intermediate ResearchResearch intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Androgen receptor (Homo sapiens) — 12 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Androgen receptor

Homo sapiens · SINGLE PROTEIN · 12 qualifying assays · 9 documents · best pChEMBL 7.8

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Apalutamide

Names & Synonyms

ErleadaARN 5094-(7-(6-CYANO-5-(TRIFLUOROMETHYL)PYRIDIN-3-YL)-8-OXO-6-THIOXO-5,7-DIAZASPIRO[3.4]OCTAN-5-YL)-2-FLUORO-N-METHYLBENZAMIDEapalutamidaJNJ 56021927
Show all synonyms
4-(7-(6-Cyano-5-(trifluoromethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspiro(3.4)octan-5-yl)-2-fluoro-N-methylbenzamide4-[7-[6-Cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamideapalutamidumApalutamide [INN]Apalutamide (ARN-509)4-[7-[6-Cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluoro-N-methylbenzamide4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide4-{7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl}-2-fluoro-N-methylbenzamideErleada (TN)956104-40-8 (free base)ApalutamideARN509?Apalutamide (Standard)Apalutamide (JAN/INN)APALUTAMIDE [MI]APALUTAMIDE [JAN]
External Identifiers
EC NUMBER: 807-449-9DSSTOX SUBSTANCE ID: DTXSID40241899CHEMBL ID: CHEMBL3183409UNII: 4T36H88UA7DRUGBANK ID: DB11901HMDB ID: HMDB0248608KEGG ID: D11040METABOLOMICS WORKBENCH ID: 152982NCI THESAURUS CODE: C92574RXCUI: 1999574WIKIDATA ID: Q21098975
Literature & Patent References
DOI 10.1021/acs.jmedchem.4c03043Discovery of Novel Bifunctional Agents as Potent Androgen Receptor Antagonists and Degraders for the Treatment of Enzalutamide-Resistant Prostate Cancer.PMID 40231807Discovery of Novel Bifunctional Agents as Potent Androgen Receptor Antagonists and Degraders for the Treatment of Enzalutamide-Resistant Prostate Cancer.DOI 10.1016/j.ejmech.2024.116400Novel selective agents for the degradation of AR/AR-V7 to treat advanced prostate cancer.DOI 10.1021/acs.jmedchem.3c01668Design and Synthesis of Dual-Target Inhibitors Targeting Androgen Receptors and Glucocorticoid Receptors to Overcome Antiandrogen Resistance in Castration-Resistant Prostate Cancer.PMID 38385428Design and Synthesis of Dual-Target Inhibitors Targeting Androgen Receptors and Glucocorticoid Receptors to Overcome Antiandrogen Resistance in Castration-Resistant Prostate Cancer.PMID 38626524Novel selective agents for the degradation of AR/AR-V7 to treat advanced prostate cancer.DOI 10.1016/j.ejmech.2023.115110Elevated labile iron in castration-resistant prostate cancer is targetable with ferrous iron-activatable antiandrogen therapy.DOI 10.1016/j.ejmech.2023.115925Synthesis and clinical application of small-molecule drugs approved to treat prostatic cancer.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

4-[(1-Cyanocyclobutyl)amino]-2-fluoro-N-methylbenzamideCAS 915087-26-2
4-Amino-2-fluoro-N-methylbenzamideCAS 915087-25-1

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 915087-33-1EnzalutamideCAS 106308-44-5RufinamideCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 956104-40-8

What are the key identifiers for Apalutamide (CAS 956104-40-8)?

Apalutamide is identified by CAS 956104-40-8, with molecular formula C21H15F4N5O2S, molecular weight 477.4, InChIKey HJBWBFZLDZWPHF-UHFFFAOYSA-N.

Does CAS 956104-40-8 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Androgen receptor. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 956104-40-8?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Apalutamide?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 956104-40-8 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

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