Products 936727-05-8

CAS 936727-05-8 appears in our catalog under these names: Lumacaftor (VX-809), VX 809, >95% (HPLC), Lumacaftor/ 99.72% (existing batch purity), VX–809, Lumacaftor. Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Biosynth. Available pack sizes: on request, 10mg, 50mg, 5mg, 25mg, 100mg, 500mg, 10mM (in 1ml dmso).

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

Lumacaftor is an aromatic amide obtained by formal condensation of the carboxy group of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid with the aromatic amino group of 3-(6-amino-3-methylpyridin-2-yl)benzoic acid. Used for the treatment of cystic fibrosis. It has a role as a CFTR potentiator and an orphan drug. It is a member of benzoic acids, a member of pyridines, an organofluorine compound, a member of benzodioxoles, a member of cyclopropanes and an aromatic amide.

Source: ChEBI

Identity
Molecular formulaC24H18F2N2O5
Molecular weight452.4 g/mol
IUPAC name3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid
InChIKeyUFSKUSARDNFIRC-UHFFFAOYSA-N
SMILESCC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)O

Computed by PubChem (NCBI)