API reference
Acalabrutinib
- CAS number
- 1420477-60-6
- Molecular formula
- C26H23N7O2
- Molecular weight
- 465.5 g/mol
About this molecule
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, via PubChem.
Identifiers
- IUPAC name
- 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
- InChIKey
- WDENQIQQYWYTPO-IBGZPJMESA-N
- SMILES
- CC#CC(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5
- PubChem CID
- 71226662
Also known as
Acalabrutinib · ACP-196 · acalabrutinibum · L01XE51 · Bruton Tyrosine Kinase Inhibitor ACP-196 · 814-272-0 · Calquence · Acalabrutinib (ACP-196)
Related entries in the range
Chemical data on this page is drawn from PubChem (National Library of Medicine) and is provided for identification only. Hanpars does not hold stock of every substance listed; availability, grade, documentation and regulatory status are confirmed per enquiry.
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