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Home/Compounds/CAS 169590-42-5
Formula C17H14F3N3O2SMW 381.4Research-use catalog entryCOA/SDS by request

Celecoxib

CAS Number: 169590-42-5

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Loading RDKit molecule structure...
InChIKey: RZEKVGVHFLEQIL-UHFFFAOYSA-NC17H14F3N3O2S | MW 381.4

Chemical Absolute Identifiers

CAS Number

169590-42-5

PubChem CID

2662

Molecular Formula

C17H14F3N3O2S

Molecular Weight

381.4 g/mol

Exact Mass

381.075882

InChIKey

RZEKVGVHFLEQIL-UHFFFAOYSA-N

IUPAC Name

4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

SMILES String

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F

Physical Properties

pKa

11.1

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

Catalog Facts

Structural features

Celecoxib (CAS 169590-42-5) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C17H14F3N3O2S and molecular weight 381. 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: Prostaglandin G/H synthase 2 (Homo sapiens) — 315 assays; Prostaglandin G/H synthase 2 (Mus musculus) — 36 assays; Prostaglandin G/H synthase 1 (Mus musculus) — 16 assays; Prostaglandin G/H synthase 1 (Ovis aries) — 171 assays; Prostaglandin G/H synthase 1 (Homo sapiens) — 119 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Prostaglandin G/H synthase 2

Homo sapiens · SINGLE PROTEIN · 315 qualifying assays · 229 documents · best pChEMBL 9.33

Experimental evidence source: ChEMBL

Prostaglandin G/H synthase 2

Mus musculus · SINGLE PROTEIN · 36 qualifying assays · 23 documents · best pChEMBL 9.29

Experimental evidence source: ChEMBL

Prostaglandin G/H synthase 1

Mus musculus · SINGLE PROTEIN · 16 qualifying assays · 12 documents · best pChEMBL 9.15

Experimental evidence source: ChEMBL

Prostaglandin G/H synthase 1

Ovis aries · SINGLE PROTEIN · 171 qualifying assays · 157 documents · best pChEMBL 8.43

Experimental evidence source: ChEMBL

Prostaglandin G/H synthase 1

Homo sapiens · SINGLE PROTEIN · 119 qualifying assays · 103 documents · best pChEMBL 7.89

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.
  • Avoid contact with skin and eyes.

PPE

Respiratory protection if needed

First Aid

  • Do not give anything to an unconscious person.
  • Rinse mouth with water.

Stability / Reactivity

  • Stability and reactivity.
  • Carbon monoxide, carbon dioxide, hydrogen fluoride, nitrogen oxides, sulfur oxides.

Disposal

  • Waste product.
  • Dispose of remaining and non-recyclable solutions to a licensed company.
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Fire Fighting

  • If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

  • Do not generate dust when collecting and disposing.
  • Sweep and shovel up.

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

Celecoxib

Names & Synonyms

CelebrexCelebraOnsenal4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDEYM 177
Show all synonyms
p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamideCelecoxibumDFN154-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamideELYXYBbenzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-CONSENSI COMPONENT CELECOXIBBenzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-4-(5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzene-1-sulfonamideELYXYB-celecoxibCelecoxib 50 mgCelecoxib 100 mg
External Identifiers
EC NUMBER: 685-962-5DSSTOX SUBSTANCE ID: DTXSID0022777CHEMBL ID: CHEMBL118CHEBI ID: CHEBI:41423UNII: JCX84Q7J1LDRUGBANK ID: DB00482HMDB ID: HMDB0005014KEGG ID: C07589KEGG ID: D00567METABOLOMICS WORKBENCH ID: 38701NCI THESAURUS CODE: C1728PHARMGKB ID: PA448871RXCUI: 140587WIKIDATA ID: Q408801
Experimental Spectrum References
1H NMR SpectraATR-IR Spectra — Forensic Spectral ResearchRaman Spectra — Forensic Spectral Research
Literature & Patent References
DOI 10.1016/j.bmc.2024.118022Potential COX-2 inhibitors modulating NF-κB/MAPK signaling pathways: Design, synthesis and evaluation of anti-inflammatory activity of Pterostilbene-carboxylic acid derivatives with an oxime ether moiety.DOI 10.1016/j.ejmech.2025.117286Design, synthesis, and evaluation of carboxylic acid-substituted celecoxib isosteres as potential anti-inflammatory agents.DOI 10.1016/j.ejmech.2025.117327Promising thiazolidinedione-thiazole based multi-target and neuroprotective hybrids for Alzheimer's disease: Design, synthesis, in-vitro, in-vivo and in-silico studies.DOI 10.1016/j.ejmech.2025.117340Optimization of pyrazole/1,2,4-triazole as dual EGFR/COX-2 inhibitors: Design, synthesis, anticancer potential, apoptosis induction and cell cycle analysis.DOI 10.1016/j.ejmech.2025.117499Unveiling a novel pyrazolopyrimidine scaffold as a dual COX-2/5-LOX inhibitor with immunomodulatory potential: Design, synthesis, target prediction, anti-inflammatory activity, and ADME-T with docking simulation.DOI 10.1021/acs.jmedchem.4c02724Modular Synthesis of Bioactive Selenoheterocycles for Efficient Cancer Therapy via Electrochemical Selenylation/Cyclization.DOI 10.1021/acs.jmedchem.4c03061New Insights into the French Paradox: Free Radical Scavenging by Resveratrol Yields Cardiovascular Protective Metabolites.DOI 10.1021/acs.jmedchem.5c00402Structure-Based Design and Optimization Lead to the Identification of a Novel Potent sEH Inhibitor with PPARγ Partial Agonist Activity against Inflammatory and Metabolic-Related Diseases.

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

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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

Celecoxib N-des(benzenesulfonamide)CAS 948293-46-7
4-(2-(2,2,2-Trifluoroacetyl)hydrazinyl)benzenesulfonamideCAS 915280-81-8
4-Hydrazinobenzenesulfonamide, chlorideCAS 17852-52-7
ImrecoxibCAS 395683-14-4

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 181695-72-7ValdecoxibCAS 97240-79-4TopiramateCAS 21829-25-4NifedipineCAS 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 169590-42-5

What are the key identifiers for Celecoxib (CAS 169590-42-5)?

Celecoxib is identified by CAS 169590-42-5, with molecular formula C17H14F3N3O2S, molecular weight 381.4, InChIKey RZEKVGVHFLEQIL-UHFFFAOYSA-N.

Does CAS 169590-42-5 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Prostaglandin G/H synthase 2, Prostaglandin G/H synthase 2, Prostaglandin G/H synthase 1, Prostaglandin G/H synthase 1, Prostaglandin G/H synthase 1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 169590-42-5?

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

Can I request supplier SDS for Celecoxib?

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

Is CAS 169590-42-5 available for quotation?

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

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