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Home/Compounds/CAS 1217486-61-7
Formula C19H22F3N5O2SMW 441.5Research-use catalog entryCOA/SDS by request

Alpelisib

CAS Number: 1217486-61-7

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Loading RDKit molecule structure...
InChIKey: STUWGJZDJHPWGZ-LBPRGKRZSA-NC19H22F3N5O2S | MW 441.5

Chemical Absolute Identifiers

CAS Number

1217486-61-7

PubChem CID

56649450

Molecular Formula

C19H22F3N5O2S

Molecular Weight

441.5 g/mol

Exact Mass

441.144631

InChIKey

STUWGJZDJHPWGZ-LBPRGKRZSA-N

IUPAC Name

(2S)-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

SMILES String

Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)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

Alpelisib (CAS 1217486-61-7) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C19H22F3N5O2S and molecular weight 441. 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.

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: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens) — 25 assays; Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens) — 10 assays; PI3-kinase p110-delta/p85-alpha (Homo sapiens) — 2 assays; Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens) — 9 assays; Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens) — 11 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform

Homo sapiens · SINGLE PROTEIN · 25 qualifying assays · 20 documents · best pChEMBL 8.77

Experimental evidence source: ChEMBL

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform

Homo sapiens · SINGLE PROTEIN · 10 qualifying assays · 8 documents · best pChEMBL 7.16

Experimental evidence source: ChEMBL

PI3-kinase p110-delta/p85-alpha

Homo sapiens · PROTEIN COMPLEX · 2 qualifying assays · 2 documents · best pChEMBL 7.14

Experimental evidence source: ChEMBL

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform

Homo sapiens · SINGLE PROTEIN · 9 qualifying assays · 9 documents · best pChEMBL 7.03

Experimental evidence source: ChEMBL

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform

Homo sapiens · SINGLE PROTEIN · 11 qualifying assays · 9 documents · best pChEMBL 6.72

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

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Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

Alpelisib

Names & Synonyms

PiqrayVijoiceBYL 719(2S)-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide1,2-Pyrrolidinedicarboxamide, N1-(4-methyl-5-(2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl)-2-thiazolyl)-, (2S)-
Show all synonyms
1,2-PYRROLIDINEDICARBOXAMIDE, N1-[4-METHYL-5-[2-(2,2,2-TRIFLUORO-1,1-DIMETHYLETHYL)-4-PYRIDINYL]-2-THIAZOLYL]-, (2S)-(S)-Pyrrolidine-1,2-dicarboxylic acid 2-amide 1-(4-methyl-5-(2-(2,2,2-trifluoro-1,1-dimethylethyl)-pyridin-4-yl)thiazol-2-yl)amidealpelisibum(2S)-1-N-(4-methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)-1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide(2S)-1-N-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide(S)-Pyrrolidine-1,2-dicarboxylic acid 2-amide 1-[4-methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-pyridin-4-yl]thiazol-2-yl]amidePhosphoinositide 3-kinase Inhibitor BYL719Alpelisib (BYL719)(S)-N1-(4-Methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-yl)pyrrolidine-1,2-dicarboxamide(2S)-N1-[4-Methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-1,2-pyrrolidinedicarboxamideAlpelisib [USAN:INN](2s)-N~1~-{4-Methyl-5-[2-(1,1,1-Trifluoro-2-Methylpropan-2-Yl)pyridin-4-Yl]-1,3-Thiazol-2-Yl}pyrrolidine-1,2-Dicarboxamide(S)-N1-(4-methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-yl)pyrrolidine-1,2-dicarboxamide.Alpelisib [INN]A lpelisib
External Identifiers
EC NUMBER: 806-598-7DSSTOX SUBSTANCE ID: DTXSID70153355CHEMBL ID: CHEMBL2396661CHEBI ID: CHEBI:93752UNII: 08W5N2C97QDRUGBANK ID: DB12015HMDB ID: HMDB0304878KEGG ID: D11011METABOLOMICS WORKBENCH ID: 153079NCI THESAURUS CODE: C94214PHARMGKB ID: PA166184523RXCUI: 2169285WIKIDATA ID: Q27074391
Literature & Patent References
DOI 10.1021/acs.jmedchem.4c02588Discovery of 5-Phenylthiazol-2-amine Derivatives as Novel PI4KIIIβ Inhibitors with Efficacious Antitumor Activity by Inhibiting the PI3K/AKT Axis.DOI 10.1021/acs.jmedchem.5c00679Discovery and Optimization of Potent PROTAC Degraders of Phosphoinositide 3-Kinase with Significant <i>in Vivo</i> Anticancer Efficacy.PMID 40047238Discovery of 5-Phenylthiazol-2-amine Derivatives as Novel PI4KIIIβ Inhibitors with Efficacious Antitumor Activity by Inhibiting the PI3K/AKT Axis.PMID 40518729Discovery and Optimization of Potent PROTAC Degraders of Phosphoinositide 3-Kinase with Significant <i>in Vivo</i> Anticancer Efficacy.DOI 10.1016/j.bmc.2023.117561Discovery of pyrazolo[3,4-d]pyrimidines as novel mitogen-activated protein kinase kinase 3 (MKK3) inhibitors.DOI 10.1016/j.ejmech.2023.116015Rational design and optimization of novel 4-methyl quinazoline derivatives as PI3K/HDAC dual inhibitors with benzamide as zinc binding moiety for the treatment of acute myeloid leukemia.DOI 10.1016/j.ejmech.2024.116722Synthetic approaches and application of representative clinically approved fluorine-enriched anti-cancer medications.DOI 10.1016/j.ejmech.2024.116786From lab to clinic: The discovery and optimization journey of PI3K inhibitors.

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

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Text Reference Cues

Show non-linked catalog cues

Non-public related references

N-(4-Methyl-5-(2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl)-2-thiazolyl)acetamideCAS 1357476-68-6
N-(4-methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-yl)-1H-imidazole-1-carboxamideCAS 1357476-70-0
4-Methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-amineCAS 1357476-69-7
1-(2-(1,1,1-Trifluoro-2-methylpropan-2-YL)pyridin-4-YL)propan-2-oneCAS 1396893-39-2
4-Methyl-2-(2,2,2-trifluoro-1,1-dimethylethyl)pyridineCAS 1378865-93-0

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 1357476-68-6N-(4-Methyl-5-(2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl)-2-thiazolyl)acetamideCAS 1357476-70-0N-(4-methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-yl)-1H-imidazole-1-carboxamideCAS 1357476-69-74-Methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-amineCAS 7531-52-4L-ProlinamideCAS 870281-82-6IdelalisibCAS 571190-30-2PalbociclibCAS 938440-64-3Ku-0063794CAS 1009820-21-6SilmitasertibCAS 1420477-60-6AcalabrutinibCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamate

RFQ questions for CAS 1217486-61-7

What are the key identifiers for Alpelisib (CAS 1217486-61-7)?

Alpelisib is identified by CAS 1217486-61-7, with molecular formula C19H22F3N5O2S, molecular weight 441.5, InChIKey STUWGJZDJHPWGZ-LBPRGKRZSA-N.

Does CAS 1217486-61-7 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, PI3-kinase p110-delta/p85-alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 1217486-61-7?

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

Can I request supplier SDS for Alpelisib?

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