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Home/Compounds/CAS 879085-55-9
Formula C19H14Cl2N2O3SMW 421.3Research-use catalog entryCOA/SDS by request

Vismodegib

CAS Number: 879085-55-9

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Loading RDKit molecule structure...
InChIKey: BPQMGSKTAYIVFO-UHFFFAOYSA-NC19H14Cl2N2O3S | MW 421.3

Chemical Absolute Identifiers

CAS Number

879085-55-9

PubChem CID

24776445

Molecular Formula

C19H14Cl2N2O3S

Molecular Weight

421.3 g/mol

Exact Mass

420.010219

InChIKey

BPQMGSKTAYIVFO-UHFFFAOYSA-N

IUPAC Name

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide

SMILES String

CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1

Physical Properties

Boiling Point

561.6 °C

Water Solubility

0.1 mol/L

pKa

3.8

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

Catalog Facts

Structural features

Vismodegib (CAS 879085-55-9) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C19H14Cl2N2O3S and molecular weight 421. 30 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: Protein smoothened (Homo sapiens) — 21 assays; Protein smoothened (Mus musculus) — 10 assays; Sonic hedgehog protein (Mus musculus) — 5 assays; Sonic hedgehog protein (Homo sapiens) — 3 assays; 5-hydroxytryptamine receptor 1A (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Protein smoothened

Homo sapiens · SINGLE PROTEIN · 21 qualifying assays · 11 documents · best pChEMBL 9.4

Experimental evidence source: ChEMBL

Protein smoothened

Mus musculus · SINGLE PROTEIN · 10 qualifying assays · 9 documents · best pChEMBL 8.82

Experimental evidence source: ChEMBL

Sonic hedgehog protein

Mus musculus · SINGLE PROTEIN · 5 qualifying assays · 4 documents · best pChEMBL 8.52

Experimental evidence source: ChEMBL

Sonic hedgehog protein

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 7.82

Experimental evidence source: ChEMBL

5-hydroxytryptamine receptor 1A

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.57

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

Vismodegib

Names & Synonyms

Erivedge2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamideHhAntag691vismodegibum2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide
Show all synonyms
Benzamide, 2-chloro-N-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)-2-CHLORO-N-(4-CHLORO-3-PYRIDIN-2-YL)PHENYL)-4-(METHYLSULFONYL)BENZAMIDER3616 cpdBENZAMIDE, 2-CHLORO-N-[4-CHLORO-3-(2-PYRIDINYL)PHENYL]-4-(METHYLSULFONYL)-Hedgehog Antagonist GDC-0449Vismodegib (GDC-0449)GDC 04492-Chloro-N-[4-chloro-3-(2-pyridinyl)phenyl]-4-(methylsulfonyl)benzamides10822-chloro-N-(4-chloro-3-pyridin-2-yl-phenyl)-4-methanesulfonyl-benzamide2-Chloranyl-~{n}-(4-Chloranyl-3-Pyridin-2-Yl-Phenyl)-4-Methylsulfonyl-BenzamideErivedge (TN)Vismodegib [USAN]Vismodegib [USAN:INN]
External Identifiers
EC NUMBER: 806-752-3DSSTOX SUBSTANCE ID: DTXSID40236689CHEMBL ID: CHEMBL473417CHEBI ID: CHEBI:66903UNII: 25X868M3DSDRUGBANK ID: DB08828HMDB ID: HMDB0259838KEGG ID: D09992METABOLOMICS WORKBENCH ID: 64839NCI THESAURUS CODE: C74038PHARMGKB ID: PA166048558RXCUI: 1242987WIKIDATA ID: Q2070286
Literature & Patent References
DOI 10.1016/j.ejmech.2024.116161Recent advances in the development of deubiquitinases inhibitors as antitumor agents.DOI 10.1016/j.ejmech.2024.116961Synthesis of pyridyl pyrimidine hedgehog signaling pathway inhibitors and their antitumor activity in human pancreatic cancer.DOI 10.6019/CHEMBL5665443Enzyme Inhibitor Single Concentration assay results for EUbOPEN Chemogenomics LibraryPMID 38262120Recent advances in the development of deubiquitinases inhibitors as antitumor agents.PMID 39447457Synthesis of pyridyl pyrimidine hedgehog signaling pathway inhibitors and their antitumor activity in human pancreatic cancer.DOI 10.1016/j.ejmech.2023.115369Structure-based discovery of potent USP28 inhibitors derived from Vismodegib.DOI 10.1038/s41467-023-40064-9A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.DOI 10.6019/CHEMBL5209801GPCR results for EUbOPEN Chemogenomics Library 3

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

2-Chloro-4-(methylsulfonyl)benzoic acidCAS 53250-83-2
Benzoyl chloride, 2-chloro-4-(methylsulfonyl)-CAS 106904-10-3
2-chloro-N-(4-(1-cyanocyclopentyl)phenyl)nicotinamideCAS 1158560-99-6
2-chloro-6-methyl-N-phenylbenzamideCAS 1386861-46-6
Rivoceranib MesylateCAS 1218779-75-9

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 53250-83-22-Chloro-4-(methylsulfonyl)benzoic acidCAS 106904-10-3Benzoyl chloride, 2-chloro-4-(methylsulfonyl)-CAS 21829-25-4NifedipineCAS 114-07-8ErythromycinCAS 160970-54-7SilodosinCAS 4449-51-8CyclopamineCAS 138402-11-6IrbesartanCAS 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 879085-55-9

What are the key identifiers for Vismodegib (CAS 879085-55-9)?

Vismodegib is identified by CAS 879085-55-9, with molecular formula C19H14Cl2N2O3S, molecular weight 421.3, InChIKey BPQMGSKTAYIVFO-UHFFFAOYSA-N.

Does CAS 879085-55-9 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Protein smoothened, Protein smoothened, Sonic hedgehog protein, Sonic hedgehog protein, 5-hydroxytryptamine receptor 1A. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 879085-55-9?

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

Can I request supplier SDS for Vismodegib?

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Is CAS 879085-55-9 available for quotation?

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