Products 879085-55-9

CAS 879085-55-9 appears in our catalog under these names: Vismodegib, Vismodegib, >95% (HPLC), Vismodegib/ 99.99%, GDC–0449 (Vismodegib), Vismodegib 98%. Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Biosynth. Available pack sizes: on request, 10mg, 5mg, 50mg, 100mg, 200mg, 10mM (in 1ml dmso), 500mg.

Structural formula: {0} (CAS {1})

Vismodegib is a benzamide obtained by formal condensation between the carboxy group of 2-chloro-4-(methylsulfonyl)benzoic acid and the anilino group of 4-chloro-3-(pyridin-2-yl)aniline. Used for the treatment metastatic basal cell carcinoma. It has a role as a Hedgehog signaling pathway inhibitor, an antineoplastic agent, a teratogenic agent and a SMO receptor antagonist. It is a member of benzamides, a member of pyridines, a sulfone and a member of monochlorobenzenes.

Source: ChEBI

Identity
Molecular formulaC19H14Cl2N2O3S
Molecular weight421.3 g/mol
IUPAC name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
InChIKeyBPQMGSKTAYIVFO-UHFFFAOYSA-N
SMILESCS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl

Computed by PubChem (NCBI)