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- Purity
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CAS Number: 879085-55-9
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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
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.
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.
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 and handling reference content is available through documentation requests.
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Vismodegib is identified by CAS 879085-55-9, with molecular formula C19H14Cl2N2O3S, molecular weight 421.3, InChIKey BPQMGSKTAYIVFO-UHFFFAOYSA-N.
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.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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