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Home/Compounds/CAS 1351636-18-4
Formula C25H22N6O3MW 454.5Research-use catalog entryCOA/SDS by request

Tirabrutinib

CAS Number: 1351636-18-4

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Loading RDKit molecule structure...
InChIKey: SEJLPXCPMNSRAM-GOSISDBHSA-NC25H22N6O3 | MW 454.5

Chemical Absolute Identifiers

CAS Number

1351636-18-4

PubChem CID

54755438

Molecular Formula

C25H22N6O3

Molecular Weight

454.5 g/mol

Exact Mass

454.175339

InChIKey

SEJLPXCPMNSRAM-GOSISDBHSA-N

IUPAC Name

6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one

SMILES String

CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

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

Tirabrutinib (CAS 1351636-18-4) is listed in the Advanced Chemicals portfolio, with molecular formula C25H22N6O3 and molecular weight 454. 50 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

Heterocyclic 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: Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens) — 4 assays; Tyrosine-protein kinase BTK (Homo sapiens) — 14 assays; Tyrosine-protein kinase Tec (Homo sapiens) — 4 assays; Tyrosine-protein kinase TXK (Homo sapiens) — 2 assays; Receptor tyrosine-protein kinase erbB-2 (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Cytoplasmic tyrosine-protein kinase BMX

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 4 documents · best pChEMBL 8.37

Experimental evidence source: ChEMBL

Tyrosine-protein kinase BTK

Homo sapiens · SINGLE PROTEIN · 14 qualifying assays · 7 documents · best pChEMBL 8.28

Experimental evidence source: ChEMBL

Tyrosine-protein kinase Tec

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 4 documents · best pChEMBL 8.21

Experimental evidence source: ChEMBL

Tyrosine-protein kinase TXK

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.94

Experimental evidence source: ChEMBL

Receptor tyrosine-protein kinase erbB-2

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 6.21

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

Tirabrutinib

Names & Synonyms

VelexbruONO-4059(Free base)6-Amino-9-((3R)-1-(2-butynoyl)-3-pyrrolidinyl)-7-(4-phenoxyphenyl)-7,9-dihydro-8H-purin-8-one8H-Purin-8-one,6-amino-7,9-dihydro-9-((3R)-1-(1-oxo-2-butyn-1-yl)-3-pyrrolidinyl)-7-(4-phenoxyphenyl)6-amino-9-[(3R)-1-(but-2-ynoyl)pyrrolidin-3-yl]-7-(4-phenoxyphenyl)-8,9-dihydro-7H-purin-8-one
Show all synonyms
tirabrutinibum6-amino-9-((3R)-1-(but-2-ynoyl)pyrrolidin-3-yl)-7-(4-phenoxyphenyl)-8,9-dihydro-7H-purin-8-one8H-Purin-8-one, 6-amino-7,9-dihydro-9-((3R)-1-(1-oxo-2-butyn-1-yl)-3-pyrrolidinyl)-7-(4-phenoxyphenyl)-8H-Purin-8-one, 6-amino-7,9-dihydro-9-[(3R)-1-(1-oxo-2-butyn-1-yl)-3-pyrrolidinyl]-7-(4-phenoxyphenyl)-Btk Kinase inhibitorTirabrutinib [INN]Tirabrutinib free base(R)-6-amino-9-(1-(but-2-ynoyl)pyrrolidin-3-yl)-7-(4-phenoxyphenyl)-7,9-dihydro-8H-purin-8-one(R)-6-amino-9-(1-(but-2-ynoyl)pyrrolidin-3-yl)-7-(4-phenoxyphenyl)-7H-purin-8(9H)-oneONO-4059(Tirabrutinib)1351636-18-4 (free base)Tirabrutinib (USAN/INN)TIRABRUTINIB [USAN]A1EK0
External Identifiers
EC NUMBER: 888-020-3CHEMBL ID: CHEMBL4071161CHEBI ID: CHEBI:232544UNII: LXG44NDL2TDRUGBANK ID: DB15227KEGG ID: D12594METABOLOMICS WORKBENCH ID: 155356NCI THESAURUS CODE: C102876WIKIDATA ID: Q27283239
Literature & Patent References
DOI 10.1021/acs.jmedchem.4c01947Design, Synthesis, and Mechanism Study of Novel BMX Inhibitors Based on the Core of 1,3,5-Triazin-2-Amine for the Treatment of Gastric Carcinoma.PMID 39953991Design, Synthesis, and Mechanism Study of Novel BMX Inhibitors Based on the Core of 1,3,5-Triazin-2-Amine for the Treatment of Gastric Carcinoma.DOI 10.1016/j.ejmech.2023.115835Synthesis and application of small molecules approved for the treatment of lymphoma.DOI 10.1021/acs.jmedchem.2c01938Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.PMID 36912866Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.PMID 37801827Synthesis and application of small molecules approved for the treatment of lymphoma.DOI 10.1016/j.ejmech.2021.114009Review of the development of BTK inhibitors in overcoming the clinical limitations of ibrutinib.PMID 34839996Review of the development of BTK inhibitors in overcoming the clinical limitations of ibrutinib.

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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  1. 1We review the CAS identity, quantity, and documentation request.
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  3. 3We review destination and shipment documentation needs when applicable.
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Text Reference Cues

Show non-linked catalog cues

Non-public related references

Ethyl adenine-9-acetateCAS 25477-96-7
9-(Tetrahydro-2h-pyran-2-yl)-9h-purin-6-amineCAS 7306-67-4
DideoxyadenosineCAS 4097-22-7

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 590-93-22-Butynoic acidCAS 120685-11-2MidostaurinCAS 1420477-60-6AcalabrutinibCAS 571190-30-2PalbociclibCAS 936563-96-1IbrutinibCAS 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 1351636-18-4

What are the key identifiers for Tirabrutinib (CAS 1351636-18-4)?

Tirabrutinib is identified by CAS 1351636-18-4, with molecular formula C25H22N6O3, molecular weight 454.5, InChIKey SEJLPXCPMNSRAM-GOSISDBHSA-N.

Does CAS 1351636-18-4 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Cytoplasmic tyrosine-protein kinase BMX, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Tec, Tyrosine-protein kinase TXK, Receptor tyrosine-protein kinase erbB-2. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 1351636-18-4?

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

Can I request supplier SDS for Tirabrutinib?

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

Is CAS 1351636-18-4 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

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