Products 2101700-15-4

CAS 2101700-15-4 appears in our catalog under these names: Pirtobrutinib, Pirtobrutinib/ 99.76% (existing batch purity), LOXO-305, Pirtobrutinib 97%, 5-Amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(1S)-2,2,2-trifluoro-1-methylethyl]-1H-pyrazole-4-carboxamide, 99%, 99%. Offered by: Chemat Brand, GLPBio, TargetMol, Biosynth, Ambeed. Available pack sizes: on request, 10mg, 25mg, 5mg, 10mM (in 1ml dmso), 1mg, 50mg, 100mg.

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

Pirtobrutinib is a secondary carboxamide resulting from the formal condensation of the carboxy group of 5-fluoro-2-methoxybenzoic acid with the amino group of 5-amino-3-[4-(aminomethyl)phenyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrazole-4-carboxamide. It is a BTK inhibitor used for the treatment of adult patients with chronic lymphocytic leukemia or small lymphocytic lymphoma. 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 primary carboxamide, a secondary carboxamide, a member of benzamides, a monomethoxybenzene, a member of pyrazoles, an organofluorine compound, a primary amino compound and a member of monofluorobenzenes.

Source: ChEBI

Identity
Molecular formulaC22H21F4N5O3
Molecular weight479.4 g/mol
IUPAC name5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-4-carboxamide
InChIKeyFWZAWAUZXYCBKZ-NSHDSACASA-N
SMILESC[C@@H](C(F)(F)F)N1C(=C(C(=N1)C2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)F)OC)C(=O)N)N

Computed by PubChem (NCBI)