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CAS Number: 936563-96-1
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CAS Number
936563-96-1
PubChem CID
24821094
Molecular Formula
C25H24N6O2
Molecular Weight
440.5 g/mol
Exact Mass
440.196074
InChIKey
XYFPWWZEPKGCCK-GOSISDBHSA-N
IUPAC Name
1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
SMILES String
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
Water Solubility
3 × 10⁻³ mol/L
pKa
3.74
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Ibrutinib (CAS 936563-96-1) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C25H24N6O2 and molecular weight 440. 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 BTK (Homo sapiens) — 166 assays; Tyrosine-protein kinase Blk (Homo sapiens) — 19 assays; Receptor tyrosine-protein kinase erbB-4 (Homo sapiens) — 17 assays; Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens) — 23 assays; Epidermal growth factor receptor (Homo sapiens) — 61 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Tyrosine-protein kinase BTK
Homo sapiens · SINGLE PROTEIN · 166 qualifying assays · 100 documents · best pChEMBL 10.1
Experimental evidence source: ChEMBL
Tyrosine-protein kinase Blk
Homo sapiens · SINGLE PROTEIN · 19 qualifying assays · 17 documents · best pChEMBL 10
Experimental evidence source: ChEMBL
Receptor tyrosine-protein kinase erbB-4
Homo sapiens · SINGLE PROTEIN · 17 qualifying assays · 15 documents · best pChEMBL 10
Experimental evidence source: ChEMBL
Cytoplasmic tyrosine-protein kinase BMX
Homo sapiens · SINGLE PROTEIN · 23 qualifying assays · 22 documents · best pChEMBL 9.4
Experimental evidence source: ChEMBL
Epidermal growth factor receptor
Homo sapiens · SINGLE PROTEIN · 61 qualifying assays · 40 documents · best pChEMBL 9.3
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
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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.
Ibrutinib is identified by CAS 936563-96-1, with molecular formula C25H24N6O2, molecular weight 440.5, InChIKey XYFPWWZEPKGCCK-GOSISDBHSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Tyrosine-protein kinase BTK, Tyrosine-protein kinase Blk, Receptor tyrosine-protein kinase erbB-4, Cytoplasmic tyrosine-protein kinase BMX, Epidermal growth factor receptor. 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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