CAS 956697-53-3 appears in our catalog under these names: Erismodegib, Sonidegib/ 99.97% (existing batch purity), LDE225 (NVP–LDE225,Erismodegib), Sonidegib 99%, rel-N-[6-[(2R,6S)-2,6-Dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide, 99%, 99%. Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Biosynth. Available pack sizes: on request, 10mg, 5mg, 25mg, 50mg, 100mg, 200mg, 10mM (in 1ml dmso).
Sonidegib is a member of the classo of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid with the amino group of 6-(2,6-dimethylmorpholin-4-yl)pyridin-3-amine. Used (as its phosphate salt) for treatment of locally advanced basal cell carcinoma. It has a role as a Hedgehog signaling pathway inhibitor, an antineoplastic agent and a SMO receptor antagonist. It is a member of benzamides, a member of biphenyls, an aromatic ether, an organofluorine compound, an aminopyridine, a member of morpholines and a tertiary amino compound.
Source: ChEBI
| Molecular formula | C26H26F3N3O3 |
|---|---|
| Molecular weight | 485.5 g/mol |
| IUPAC name | N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide |
| InChIKey | VZZJRYRQSPEMTK-CALCHBBNSA-N |
| SMILES | C[C@@H]1CN(C[C@@H](O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F |
Computed by PubChem (NCBI)