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CAS Number: 540737-29-9
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CAS Number
540737-29-9
PubChem CID
10174505
Molecular Formula
C22H28N6O8
Molecular Weight
504.5 g/mol
Exact Mass
504.196862
InChIKey
SYIKUFDOYJFGBQ-YLAFAASESA-N
IUPAC Name
2-hydroxypropane-1,2,3-tricarboxylic acid;3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
SMILES String
C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12.O=C(O)CC(O)(CC(=O)O)C(=O)O
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Tofacitinib Citrate (CAS 540737-29-9) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C22H28N6O8 and molecular weight 504. 50 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: Tyrosine-protein kinase JAK3 (Homo sapiens) — 28 assays; Tyrosine-protein kinase JAK2 (Homo sapiens) — 28 assays; Tyrosine-protein kinase JAK1 (Homo sapiens) — 27 assays; Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens) — 28 assays; Serine/threonine-protein kinase DCLK3 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Tyrosine-protein kinase JAK3
Homo sapiens · SINGLE PROTEIN · 28 qualifying assays · 3 documents · best pChEMBL 9.7
Experimental evidence source: ChEMBL
Tyrosine-protein kinase JAK2
Homo sapiens · SINGLE PROTEIN · 28 qualifying assays · 3 documents · best pChEMBL 9.22
Experimental evidence source: ChEMBL
Tyrosine-protein kinase JAK1
Homo sapiens · SINGLE PROTEIN · 27 qualifying assays · 3 documents · best pChEMBL 9.17
Experimental evidence source: ChEMBL
Non-receptor tyrosine-protein kinase TYK2
Homo sapiens · SINGLE PROTEIN · 28 qualifying assays · 3 documents · best pChEMBL 8.36
Experimental evidence source: ChEMBL
Serine/threonine-protein kinase DCLK3
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 8.35
Experimental evidence source: ChEMBL
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 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.
Tofacitinib Citrate is identified by CAS 540737-29-9, with molecular formula C22H28N6O8, molecular weight 504.5, InChIKey SYIKUFDOYJFGBQ-YLAFAASESA-N.
ChEMBL contains qualifying experimental assay evidence associated with Tyrosine-protein kinase JAK3, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK1, Non-receptor tyrosine-protein kinase TYK2, Serine/threonine-protein kinase DCLK3. 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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
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