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CAS Number: 169590-42-5
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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
pKa
11.1
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
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
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Celecoxib is identified by CAS 169590-42-5, with molecular formula C17H14F3N3O2S, molecular weight 381.4, InChIKey RZEKVGVHFLEQIL-UHFFFAOYSA-N.
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.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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