Products 1420477-60-6

CAS 1420477-60-6 appears in our catalog under these names: Acalabrutinib, Acalabrutinib, >95% (HPLC), Acalabrutinib/ 99.95% (existing batch purity), ACP–196, Acalabrutinib, 98%. Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Biosynth. Available pack sizes: on request, 10mg, 2,5mg, 25mg, 5mg, 50mg, 100mg, 200mg.

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

Acalabrutinib is a member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy. It has a role as an antineoplastic agent, an apoptosis inducer and an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is a secondary carboxamide, a tertiary carboxamide, a member of benzamides, a member of pyridines, an aromatic amine, an imidazopyrazine, a pyrrolidinecarboxamide and a ynone.

Source: ChEBI

Identity
Molecular formulaC26H23N7O2
Molecular weight465.5 g/mol
IUPAC name4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
InChIKeyWDENQIQQYWYTPO-IBGZPJMESA-N
SMILESCC#CC(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5

Computed by PubChem (NCBI)