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Home/Compounds/CAS 1310726-60-3
Formula C17H19F3N6OMW 380.4Research-use catalog entryCOA/SDS by request

Upadacitinib

CAS Number: 1310726-60-3

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Loading RDKit molecule structure...
InChIKey: WYQFJHHDOKWSHR-MNOVXSKESA-NC17H19F3N6O | MW 380.4

Chemical Absolute Identifiers

CAS Number

1310726-60-3

PubChem CID

58557659

Molecular Formula

C17H19F3N6O

Molecular Weight

380.4 g/mol

Exact Mass

380.157244

InChIKey

WYQFJHHDOKWSHR-MNOVXSKESA-N

IUPAC Name

(3S,4R)-3-ethyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

SMILES String

CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12

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

Upadacitinib (CAS 1310726-60-3) is listed in the Advanced Chemicals portfolio, with molecular formula C17H19F3N6O and molecular weight 380. 40 g/mol.

Sourcing context

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

Research use context

Intended for research building-block and synthetic chemistry 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

Organic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Tyrosine-protein kinase JAK1 (Homo sapiens) — 42 assays; Tyrosine-protein kinase JAK2 (Homo sapiens) — 34 assays; Tyrosine-protein kinase JAK3 (Homo sapiens) — 27 assays; JAK3/JAK1 (Homo sapiens) — 5 assays; JAK2/JAK1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Tyrosine-protein kinase JAK1

Homo sapiens · SINGLE PROTEIN · 42 qualifying assays · 22 documents · best pChEMBL 9.1

Experimental evidence source: ChEMBL

Tyrosine-protein kinase JAK2

Homo sapiens · SINGLE PROTEIN · 34 qualifying assays · 15 documents · best pChEMBL 8.8

Experimental evidence source: ChEMBL

Tyrosine-protein kinase JAK3

Homo sapiens · SINGLE PROTEIN · 27 qualifying assays · 10 documents · best pChEMBL 8.8

Experimental evidence source: ChEMBL

JAK3/JAK1

Homo sapiens · PROTEIN COMPLEX · 5 qualifying assays · 2 documents · best pChEMBL 8.7

Experimental evidence source: ChEMBL

JAK2/JAK1

Homo sapiens · PROTEIN COMPLEX · 2 qualifying assays · 1 documents · best pChEMBL 8.52

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

Upadacitinib

Names & Synonyms

Upadacitinib anhydrous(3S,4R)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)-1-pyrrolidinecarboxamide(3S,4R)-3-ethyl-4-(3H-imidazo(1,2-a)pyrrolo(2,3-e)pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)-1-pyrrolidinecarboxamideupadacitinibum(3S,4R)-3-ethyl-4-(1,5,7,10-tetraazatricyclo(7.3.0.0^(2,6))dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
Show all synonyms
Rinvoq(3S,4R)-3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamideABT 4941-Pyrrolidinecarboxamide, 3-ethyl-4-(3H-imidazo(1,2-a)pyrrolo(2,3-e)pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)-, (3S,4R)-1-Pyrrolidinecarboxamide, 3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)-, (3S,4R)-Upadacitinib [USAN]Upadacitinib (Standard)UPADACITINIB [MI]Upadacitinib, ABT-494Upadacitinib (USAN/INN)UPADACITINIB [INN]Upadacitinib [USAN:INN]Upadacitinib (ABT-494)UPADACITINIB [WHO-DD]
External Identifiers
DSSTOX SUBSTANCE ID: DTXSID901027919CHEMBL ID: CHEMBL3622821UNII: 4RA0KN46E0DRUGBANK ID: DB15091KEGG ID: D10994METABOLOMICS WORKBENCH ID: 155276NCI THESAURUS CODE: C152802PHARMGKB ID: PA166189803RXCUI: 2196092WIKIDATA ID: Q27074125
Literature & Patent References
DOI 10.1016/j.ejmech.2024.116210Design, synthesis and evaluation of C-5 substituted pyrrolopyridine derivatives as potent Janus Kinase 1 inhibitors with excellent selectivity.DOI 10.6019/CHEMBL5444388Affinity Phenotypic Cellular Literature for EUbOPEN Chemogenomic LibraryDOI 10.6019/CHEMBL5445981Affinity On-target Cellular Literature for EUbOPEN Chemogenomic LibraryDOI 10.6019/CHEMBL5446079Affinity Biochemical Literature for EUbOPEN Chemogenomic LibraryDOI 10.6019/CHEMBL5465560Selectivity Literature for EUbOPEN Chemogenomic LibraryDOI 10.6019/CHEMBL5608141Identification of compartment-specific drug sensitivities in CRC organoid-stroma co-culturesDOI 10.6019/CHEMBL5665443Enzyme Inhibitor Single Concentration assay results for EUbOPEN Chemogenomics LibraryDOI 10.6019/CHEMBL5674860Optimized Dual-Glo Assay to identify co-culture-induced drug vulnerabilities in 3D CRC models

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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Text Reference Cues

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Non-public related references

N-benzylpiperazine-1-carboxamideCAS 202819-47-4
Sha-68CAS 847553-89-3

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 62996-74-1StaurosporineCAS 120685-11-2MidostaurinCAS 571190-30-2PalbociclibCAS 1187594-09-7BaricitinibCAS 1609392-27-9DeucravacitinibCAS 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 acid

RFQ questions for CAS 1310726-60-3

What are the key identifiers for Upadacitinib (CAS 1310726-60-3)?

Upadacitinib is identified by CAS 1310726-60-3, with molecular formula C17H19F3N6O, molecular weight 380.4, InChIKey WYQFJHHDOKWSHR-MNOVXSKESA-N.

Does CAS 1310726-60-3 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK3, JAK3/JAK1, JAK2/JAK1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 1310726-60-3?

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

Can I request supplier SDS for Upadacitinib?

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Is CAS 1310726-60-3 available for quotation?

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