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Home/Compounds/CAS 701213-36-7
Formula C24H23N7O4MW 473.5Research-use catalog entryCOA/SDS by request

Temsavir

CAS Number: 701213-36-7

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Loading RDKit molecule structure...
InChIKey: QRPZBKAMSFHVRW-UHFFFAOYSA-NC24H23N7O4 | MW 473.5

Chemical Absolute Identifiers

CAS Number

701213-36-7

PubChem CID

11317439

Molecular Formula

C24H23N7O4

Molecular Weight

473.5 g/mol

Exact Mass

473.181152

InChIKey

QRPZBKAMSFHVRW-UHFFFAOYSA-N

IUPAC Name

1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

SMILES String

COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12

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

Temsavir (CAS 701213-36-7) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C24H23N7O4 and molecular weight 473. 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: Envelope glycoprotein gp160 (Human immunodeficiency virus 1) — 2 assays; Voltage-gated inwardly rectifying potassium channel KCNH2 (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 4 assays; Cytochrome P450 2C19 (Homo sapiens) — 3 assays; Cytochrome P450 2C9 (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Envelope glycoprotein gp160

Human immunodeficiency virus 1 · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 9.08

Experimental evidence source: ChEMBL

Voltage-gated inwardly rectifying potassium channel KCNH2

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 4.66

Experimental evidence source: ChEMBL

Cytochrome P450 3A4

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 3 documents · best pChEMBL 4.6

Experimental evidence source: ChEMBL

Cytochrome P450 2C19

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 4.6

Experimental evidence source: ChEMBL

Cytochrome P450 2C9

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 4.6

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

Temsavir

Names & Synonyms

1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo(2,3-C)pyridin-3-yl)-Piperazine, 1-benzoyl-4-((4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo(2,3-C)pyridin-3-yl)oxoacetyl)-temsavirum1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo(2,3-c)pyridin-3-yl)-ethane-1,2-dione1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
Show all synonyms
BMS 626529Temsavir (BMS-626529)1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione(AlphaR)-N-[(7R)-6,7-Dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl]-Alpha-hydroxy-benzeneacetamide1-[4-(Benzenecarbonyl)piperazin-1-Yl]-2-[4-Methoxy-7-(3-Methyl-1h-1,2,4-Triazol-1-Yl)-1h-Pyrrolo[2,3-C]pyridin-3-Yl]ethane-1,2-DioneTemsavir [USAN:INN]83JTEMSAVIR [USAN]Temsavir (USAN/INN)TEMSAVIR [INN]TEMSAVIR [MI]TEMSAVIR [WHO-DD]TemsavirBMS-626529?
External Identifiers
DSSTOX SUBSTANCE ID: DTXSID20462146CHEMBL ID: CHEMBL3301620UNII: 4B6J53W8N3DRUGBANK ID: DB14675HMDB ID: HMDB0249319KEGG ID: C21558KEGG ID: D10734METABOLOMICS WORKBENCH ID: 144575NCI THESAURUS CODE: C152553RXCUI: 2675620WIKIDATA ID: Q27259369TemsavirBMS-626529
Literature & Patent References
DOI 10.1016/j.ejmech.2024.116364The role of the methoxy group in approved drugs.PMID 38781921The role of the methoxy group in approved drugs.DOI 10.1016/j.bmc.2022.116614Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.PMID 35033884Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.DOI 10.6019/CHEMBL4808148HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activatorsDOI 10.1021/acs.jmedchem.9b02149Preclinical Optimization of gp120 Entry Antagonists as anti-HIV-1 Agents with Improved Cytotoxicity and ADME Properties through Rational Design, Synthesis, and Antiviral Evaluation.DOI 10.21203/rs.3.rs-23951/v1Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collectionDOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen

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

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Non-public related references

Fostemsavir TromethamineCAS 864953-39-9
Bms-378806CAS 357263-13-9

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 864953-39-9Fostemsavir TromethamineCAS 357263-13-9Bms-378806CAS 269055-15-4EtravirineCAS 100-33-4PentamidineCAS 1051375-16-6DolutegravirCAS 100-88-9CyclamateCAS 1000787-75-6TegobuvirCAS 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 acid

RFQ questions for CAS 701213-36-7

What are the key identifiers for Temsavir (CAS 701213-36-7)?

Temsavir is identified by CAS 701213-36-7, with molecular formula C24H23N7O4, molecular weight 473.5, InChIKey QRPZBKAMSFHVRW-UHFFFAOYSA-N.

Does CAS 701213-36-7 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Envelope glycoprotein gp160, Voltage-gated inwardly rectifying potassium channel KCNH2, Cytochrome P450 3A4, Cytochrome P450 2C19, Cytochrome P450 2C9. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 701213-36-7?

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

Can I request supplier SDS for Temsavir?

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

Is CAS 701213-36-7 available for quotation?

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

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