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Home/Compounds/CAS 1051375-16-6
Formula C20H19F2N3O5MW 419.4Research-use catalog entryCOA/SDS by request

Dolutegravir

CAS Number: 1051375-16-6

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Loading RDKit molecule structure...
InChIKey: RHWKPHLQXYSBKR-BMIGLBTASA-NC20H19F2N3O5 | MW 419.4

Chemical Absolute Identifiers

CAS Number

1051375-16-6

PubChem CID

54726191

Molecular Formula

C20H19F2N3O5

Molecular Weight

419.4 g/mol

Exact Mass

419.129277

InChIKey

RHWKPHLQXYSBKR-BMIGLBTASA-N

IUPAC Name

(3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

SMILES String

C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12

Physical Properties

Melting Point

19–193 °C

pKa

8.2

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

Catalog Facts

Structural features

Dolutegravir (CAS 1051375-16-6) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C20H19F2N3O5 and molecular weight 419. 40 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: Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) — 12 assays; Sigma intracellular receptor 2 (Rattus norvegicus) — 3 assays; Sigma non-opioid intracellular receptor 1 (Cavia porcellus) — 2 assays; Solute carrier family 22 member 2 (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 6 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Human immunodeficiency virus type 1 integrase

Human immunodeficiency virus 1 · SINGLE PROTEIN · 12 qualifying assays · 9 documents · best pChEMBL 9.3

Experimental evidence source: ChEMBL

Sigma intracellular receptor 2

Rattus norvegicus · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 7.75

Experimental evidence source: ChEMBL

Sigma non-opioid intracellular receptor 1

Cavia porcellus · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 7.15

Experimental evidence source: ChEMBL

Solute carrier family 22 member 2

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.72

Experimental evidence source: ChEMBL

Cytochrome P450 3A4

Homo sapiens · SINGLE PROTEIN · 6 qualifying assays · 1 documents · best pChEMBL 4.48

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

Dolutegravir

Names & Synonyms

S/GSK1349572GSK 1349572(4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide2H-Pyrido(1',2':4,5)pyrazino(2,1-b)(1,3)oxazine-9-carboxamide, N-((2,4-difluorophenyl)methyl)-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-, (4R,12aS)-dolutegravirum
Show all synonyms
(4R,12aS)-N-((2,4-difluorophenyl)methyl)-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-2H-Pyrido(1',2':4,5)pyrazino(2,1-b)(1,3)oxazine-9-carboxamide(4R,12aS)-N-((2,4-difluorophenyl)methyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,12,12a-tetrahydro-2H-pyrido(5,6)pyrazino(2,6-b)(1,3)oxazine-9-carboxamide(4R,12aS)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-4-methyl-6,8-dioxo-3,4,12,12a-tetrahydro-2H-pyrido[5,6]pyrazino[2,6-b][1,3]oxazine-9-carboxamide2H-Pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, N-[(2,4-difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-, (4R,12aS)-(14C)-(4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-(1,3)oxazino(3,2-a)pyrido(1,2-d)pyrazine-9-carboxamide(4R,9aS)-5-hydroxy-4-methyl-6,10-dioxo-3,4,6,9,9a,10-hexahydro-2H-1-oxa-4a,8a-diaza-anthracene-7-carboxylic acid-2,4 difluorobenzylamide2H-Pyrido(1',2':4,5)pyrazino(2,1-b)(1,3)oxazine-9-carboxamide, N-((2,4-difluorophenyl)methyl)-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-, (4R,12aS)TivicayDolutegravir (GSK1349572)(4r,12as)-N-(2,4-Difluorobenzyl)-7-Hydroxy-4-Methyl-6,8-Dioxo-3,4,6,8,12,12a-Hexahydro-2h-Pyrido[1',2':4,5]pyrazino[2,1-B][1,3]oxazine-9-CarboxamideDolutegravir DTGDolutegravir [USAN]Dolutegravir (USAN)Tivicay (TN)
External Identifiers
EC NUMBER: 809-888-1DSSTOX SUBSTANCE ID: DTXSID90909356CHEMBL ID: CHEMBL1229211CHEBI ID: CHEBI:76010UNII: DKO1W9H7M1DRUGBANK ID: DB08930KEGG ID: D10066METABOLOMICS WORKBENCH ID: 144548NCI THESAURUS CODE: C121543PHARMGKB ID: PA166114961RXCUI: 1433868WIKIDATA ID: Q937224
Literature & Patent References
DOI 10.1016/j.bmcl.2024.130076Synthesis of dolutegravir derivatives modified by 1,2,3-triazole structure and their anti-inflammatory activity in LPS-induced BV2 cells.PMID 39694340Synthesis of dolutegravir derivatives modified by 1,2,3-triazole structure and their anti-inflammatory activity in LPS-induced BV2 cells.DOI 10.1016/j.bmcl.2024.129902Molecular design and evaluation of aza-polycyclic carbamoyl pyridones as HIV-1 integrase strand transfer inhibitors.DOI 10.1016/j.ejmech.2024.116900A mini-review on integrase inhibitors: The cornerstone of next-generation HIV treatment.DOI 10.1021/acs.jmedchem.4c01540Viral Protein Dimerization Quality Control: A Design Strategy for a Potential Viral Inhibitor.PMID 39059564Molecular design and evaluation of aza-polycyclic carbamoyl pyridones as HIV-1 integrase strand transfer inhibitors.PMID 39303015Viral Protein Dimerization Quality Control: A Design Strategy for a Potential Viral Inhibitor.PMID 39332384A mini-review on integrase inhibitors: The cornerstone of next-generation HIV treatment.

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

Dolutegravir SodiumCAS 1051375-19-9
Bms-707035CAS 729607-74-3
Raltegravir PotassiumCAS 871038-72-1

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 1051375-19-9Dolutegravir SodiumCAS 520-36-5ApigeninCAS 65277-42-11-(4-(4-((2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)ethanoneCAS 269055-15-4EtravirineCAS 518048-05-0RaltegravirCAS 697761-98-1ElvitegravirCAS 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 1051375-16-6

What are the key identifiers for Dolutegravir (CAS 1051375-16-6)?

Dolutegravir is identified by CAS 1051375-16-6, with molecular formula C20H19F2N3O5, molecular weight 419.4, InChIKey RHWKPHLQXYSBKR-BMIGLBTASA-N.

Does CAS 1051375-16-6 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Human immunodeficiency virus type 1 integrase, Sigma intracellular receptor 2, Sigma non-opioid intracellular receptor 1, Solute carrier family 22 member 2, Cytochrome P450 3A4. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 1051375-16-6?

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

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