Products 936563-96-1
CAS 936563-96-1 appears in our catalog under these names: 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one, 98%, 98%, Ibrutinib, 98%, Ibrutinib, Ibrutinib (PCI-32765), Ibrutinib, >95% (HPLC). Offered by: Chemat, Combi-blocks, Chemat Brand, TRC, Mikromol. Available pack sizes: 5mg, 10mg, 100mg, 250mg, 1g, 5g, 10g, 25g.
Ibrutinib is a member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies. It has a role as an antineoplastic agent and an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is a tertiary carboxamide, a member of acrylamides, an aromatic amine, an aromatic ether, a pyrazolopyrimidine and a N-acylpiperidine.
Source: ChEBI
| Molecular formula | C25H24N6O2 |
|---|---|
| Molecular weight | 440.5 g/mol |
| IUPAC name | 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one |
| InChIKey | XYFPWWZEPKGCCK-GOSISDBHSA-N |
| SMILES | C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N |
Computed by PubChem (NCBI)