Products 1260907-17-2

CAS 1260907-17-2 appears in our catalog under these names: GSK 525762A, Molibresib, I–BET–762, I-BET 762, I-BET762. Offered by: TRC, TargetMol, GLPBio, Biosynth, Chemat. Available pack sizes: 10mg, 25mg, 5mg, 1mg, 2mg, 50mg, 100mg, 200mg.

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

Molibresib is a member of the class of triazolobenzodiazepine that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine substituted by methyl, 2-(ethylamino)-2-oxoethyl, 4-chlorophenyl, and methoxy groups at positions 1, 4S, 6, and 8, respectively. It is an orally bioavailable inhibitor of BET family of proteins that has demonstrated antitumour activity in preclinical models of solid and hematologic malignancies. It has a role as a bromodomain-containing protein 4 inhibitor, an antineoplastic agent and an apoptosis inducer. It is a secondary carboxamide, a triazolobenzodiazepine, an aromatic ether and a member of monochlorobenzenes.

Source: ChEBI

Identity
Molecular formulaC22H22ClN5O2
Molecular weight423.9 g/mol
IUPAC name2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
InChIKeyAAAQFGUYHFJNHI-SFHVURJKSA-N
SMILESCCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C

Computed by PubChem (NCBI)