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Home/Compounds/CAS 163451-81-8
Formula C12H9F3N2O2MW 270.21Research-use catalog entryCOA/SDS by request

Teriflunomide

CAS Number: 163451-81-8

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Loading RDKit molecule structure...
InChIKey: UTNUDOFZCWSZMS-YFHOEESVSA-NC12H9F3N2O2 | MW 270.21

Chemical Absolute Identifiers

CAS Number

163451-81-8

PubChem CID

54684141

Molecular Formula

C12H9F3N2O2

Molecular Weight

270.21 g/mol

Exact Mass

270.061612

InChIKey

UTNUDOFZCWSZMS-YFHOEESVSA-N

IUPAC Name

(Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide

SMILES String

C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1

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

Teriflunomide (CAS 163451-81-8) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C12H9F3N2O2 and molecular weight 270. 21 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: Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus) — 7 assays; Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens) — 27 assays; Dihydroorotate dehydrogenase (quinone), mitochondrial (Mus musculus) — 4 assays; Dihydroorotate dehydrogenase (Plasmodium falciparum) — 4 assays; Alpha-1A adrenergic receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Dihydroorotate dehydrogenase (quinone), mitochondrial

Rattus norvegicus · SINGLE PROTEIN · 7 qualifying assays · 7 documents · best pChEMBL 8.05

Experimental evidence source: ChEMBL

Dihydroorotate dehydrogenase (quinone), mitochondrial

Homo sapiens · SINGLE PROTEIN · 27 qualifying assays · 21 documents · best pChEMBL 7.52

Experimental evidence source: ChEMBL

Dihydroorotate dehydrogenase (quinone), mitochondrial

Mus musculus · SINGLE PROTEIN · 4 qualifying assays · 4 documents · best pChEMBL 7.16

Experimental evidence source: ChEMBL

Dihydroorotate dehydrogenase

Plasmodium falciparum · SINGLE PROTEIN · 4 qualifying assays · 4 documents · best pChEMBL 5.41

Experimental evidence source: ChEMBL

Alpha-1A adrenergic receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.68

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

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Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Teriflunomide

Names & Synonyms

AubagioFlucyamideA77 1726(Z)-2-Cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)but-2-enamideHMR 1726
Show all synonyms
teriflunomidaA 771726SU 20teriflunomidumA 77-1726(Z)-2-cyano-alpha,alpha,alpha-trifluoro-3-hydroxy-p-crotonotoluidideN-(4-Trifluoromethylphenyl)-2-cyano-2-hydroxycrotonamide2-hydroxyethylidene-cyanoacetic acid-4-trifluoromethyl anilideA 1726(2Z)-2-Cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-2-butenamide(2Z)-2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-2-butenamide(Z)-2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-2-butenamide2-Butenamide, 2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-, (Z)-(Z)-2-Cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-2-butenamide
External Identifiers
EC NUMBER: 642-273-4DSSTOX SUBSTANCE ID: DTXSID80893457CHEMBL ID: CHEMBL973CHEBI ID: CHEBI:68540UNII: 1C058IKG3BDRUGBANK ID: DB08880KEGG ID: D10172METABOLOMICS WORKBENCH ID: 65081NCI THESAURUS CODE: C76662PHARMGKB ID: PA166256301RXCUI: 1310520WIKIDATA ID: Q3077133
Experimental Spectrum References
ATR-IR Spectra — Forensic Spectral ResearchFTIR Spectra — Forensic Spectral ResearchRaman Spectra — Forensic Spectral Research
Literature & Patent References
DOI 10.1038/s41467-023-40064-9A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.PMID 37468498A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.DOI 10.1016/j.ejmech.2022.114489A novel series of teriflunomide derivatives as orally active inhibitors of human dihydroorotate dehydrogenase for the treatment of colorectal carcinoma.DOI 10.1016/j.ejmech.2022.114737Discovery of potent human dihydroorotate dehydrogenase inhibitors based on a benzophenone scaffold.DOI 10.1021/acs.jmedchem.1c01746Discovery of Orally Available Retinoic Acid Receptor-Related Orphan Receptor γ-t/Dihydroorotate Dehydrogenase Dual Inhibitors for the Treatment of Refractory Inflammatory Bowel Disease.PMID 34957834Discovery of Orally Available Retinoic Acid Receptor-Related Orphan Receptor γ-t/Dihydroorotate Dehydrogenase Dual Inhibitors for the Treatment of Refractory Inflammatory Bowel Disease.PMID 35640328A novel series of teriflunomide derivatives as orally active inhibitors of human dihydroorotate dehydrogenase for the treatment of colorectal carcinoma.PMID 36115209Discovery of potent human dihydroorotate dehydrogenase inhibitors based on a benzophenone scaffold.

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

2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamideCAS 24522-30-3
3-oxo-N-(4-(trifluoromethyl)phenyl)butanamideCAS 351-87-1
LeflunomideCAS 75706-12-6
4-(Trifluoromethyl)benzoic acidCAS 455-24-3
2-Butenoic acid, 2-cyano-3-hydroxy-, ethyl esterCAS 87853-82-5

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 24522-30-32-Cyano-N-[4-(trifluoromethyl)phenyl]acetamideCAS 351-87-13-oxo-N-(4-(trifluoromethyl)phenyl)butanamideCAS 75706-12-6LeflunomideCAS 107724-20-9EplerenoneCAS 1231929-97-7AbemaciclibCAS 124027-47-0VelnacrineCAS 100643-71-8DesloratadineCAS 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 acid

RFQ questions for CAS 163451-81-8

What are the key identifiers for Teriflunomide (CAS 163451-81-8)?

Teriflunomide is identified by CAS 163451-81-8, with molecular formula C12H9F3N2O2, molecular weight 270.21, InChIKey UTNUDOFZCWSZMS-YFHOEESVSA-N.

Does CAS 163451-81-8 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Dihydroorotate dehydrogenase (quinone), mitochondrial, Dihydroorotate dehydrogenase (quinone), mitochondrial, Dihydroorotate dehydrogenase (quinone), mitochondrial, Dihydroorotate dehydrogenase, Alpha-1A adrenergic receptor. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 163451-81-8?

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

Can I request supplier SDS for Teriflunomide?

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

Is CAS 163451-81-8 available for quotation?

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