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Home/Compounds/CAS 668270-12-0
Formula C25H28N8O2MW 472.5Research-use catalog entryCOA/SDS by request

Linagliptin

CAS Number: 668270-12-0

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Loading RDKit molecule structure...
InChIKey: LTXREWYXXSTFRX-QGZVFWFLSA-NC25H28N8O2 | MW 472.5

Chemical Absolute Identifiers

CAS Number

668270-12-0

PubChem CID

10096344

Molecular Formula

C25H28N8O2

Molecular Weight

472.5 g/mol

Exact Mass

472.233522

InChIKey

LTXREWYXXSTFRX-QGZVFWFLSA-N

IUPAC Name

8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione

SMILES String

CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C

Physical Properties

Melting Point

202.0 °C

Water Solubility

1 mol/L

pKa

1

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Linagliptin (CAS 668270-12-0) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C25H28N8O2 and molecular weight 472. 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: Dipeptidyl peptidase 4 (Homo sapiens) — 34 assays; Prolyl endopeptidase FAP (Homo sapiens) — 7 assays; Muscarinic acetylcholine receptor M1 (Homo sapiens) — 4 assays; Prolyl endopeptidase FAP (Mus musculus) — 2 assays; Histamine H2 receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Dipeptidyl peptidase 4

Homo sapiens · SINGLE PROTEIN · 34 qualifying assays · 25 documents · best pChEMBL 10

Experimental evidence source: ChEMBL

Prolyl endopeptidase FAP

Homo sapiens · SINGLE PROTEIN · 7 qualifying assays · 4 documents · best pChEMBL 7.15

Experimental evidence source: ChEMBL

Muscarinic acetylcholine receptor M1

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 4 documents · best pChEMBL 6.53

Experimental evidence source: ChEMBL

Prolyl endopeptidase FAP

Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.43

Experimental evidence source: ChEMBL

Histamine H2 receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.91

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

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Linagliptin

Names & Synonyms

TradjentaBI 1356TrazentaTrajentalinagliptine
Show all synonyms
LinagliptinaBS 1356 BS(R)-8-(3-Amino-piperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dioneBI 1356 BSGLYXAMBI COMPONENT LINAGLIPTIN(R)-8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methylquinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione1H-Purine-2,6-dione, 8-((3R)-3-amino-1-piperidinyl)-7-(2-butynyl)-3,7-dihydro-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-TRIJARDY XR COMPONENT LINAGLIPTIN8-[(3R)-3-aminopiperidin-1-yl]-7-(but-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dionelinagliptinum8-((3R)-3-AMINOPIPERIDIN-1-YL)-7-(BUT-2-YN-1-YL)-3-METHYL-1-((4-METHYLQUINAZOLIN-2-YL)METHYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE1356, BIOnderoLinagliptin (BI-1356)ione
External Identifiers
EC NUMBER: 620-351-9DSSTOX SUBSTANCE ID: DTXSID201021653CHEMBL ID: CHEMBL237500CHEBI ID: CHEBI:68610UNII: 3X29ZEJ4R2DRUGBANK ID: DB08882KEGG ID: D09566METABOLOMICS WORKBENCH ID: 65122NCI THESAURUS CODE: C83887PHARMGKB ID: PA166368161RXCUI: 1100699WIKIDATA ID: Q909745
Literature & Patent References
DOI 10.1016/j.ejmech.2024.117160Design and synthesis of novel 3,7-dihydro-1H-purine-2,6-diones as DPP-4 inhibitors: An in silico, in vitro and in vivo approach.PMID 39708765Design and synthesis of novel 3,7-dihydro-1H-purine-2,6-diones as DPP-4 inhibitors: An in silico, in vitro and in vivo approach.DOI 10.1016/j.ejmech.2024.116464Synthesis and clinical application of representative small-molecule dipeptidyl Peptidase-4 (DPP-4) inhibitors for the treatment of type 2 diabetes mellitus (T2DM).DOI 10.1016/j.ejmech.2024.116948Sensitive quantification of fibroblast activation protein and high-throughput screening for inhibition by FDA-approved compounds.DOI 10.5281/zenodo.13943903Linking interpersonal differences in gut microbiota composition and drug biotransformation activityDOI 10.6019/CHEMBL5724796Tm Shift (DSF) assay results for EUbOPEN Chemogenomics LibraryPMID 38704940Synthesis and clinical application of representative small-molecule dipeptidyl Peptidase-4 (DPP-4) inhibitors for the treatment of type 2 diabetes mellitus (T2DM).PMID 39437576Sensitive quantification of fibroblast activation protein and high-throughput screening for inhibition by FDA-approved compounds.

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

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

Show non-linked catalog cues

Non-public related references

7-(2-Butyn-1-yl)-8-[(3R)-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-piperidinyl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dioneCAS 886588-63-2
1,1-Dimethylethyl N-((3R)-1-(7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-2,6-dioxo-1H-purin-8-yl)-3-piperidinyl)carbamateCAS 668273-75-4
2-(Chloromethyl)-4-methylquinazolineCAS 109113-72-6

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 886588-63-27-(2-Butyn-1-yl)-8-[(3R)-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-piperidinyl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dioneCAS 668273-75-41,1-Dimethylethyl N-((3R)-1-(7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-2,6-dioxo-1H-purin-8-yl)-3-piperidinyl)carbamateCAS 274901-16-5VildagliptinCAS 100643-71-8DesloratadineCAS 132539-06-1OlanzapineCAS 443913-73-3VandetanibCAS 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-carboxylate

RFQ questions for CAS 668270-12-0

What are the key identifiers for Linagliptin (CAS 668270-12-0)?

Linagliptin is identified by CAS 668270-12-0, with molecular formula C25H28N8O2, molecular weight 472.5, InChIKey LTXREWYXXSTFRX-QGZVFWFLSA-N.

Does CAS 668270-12-0 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Dipeptidyl peptidase 4, Prolyl endopeptidase FAP, Muscarinic acetylcholine receptor M1, Prolyl endopeptidase FAP, Histamine H2 receptor. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 668270-12-0?

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

Can I request supplier SDS for Linagliptin?

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

Is CAS 668270-12-0 available for quotation?

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