Products 1431727-04-6
CAS 1431727-04-6 is the registry number for PLS-123. Offered by: MedChemExpress. Available pack sizes: Get quote.
PLS-123 is a member of the class of pyrimidines that is pyrimidine substituted by (3-{[N-(prop-2-enoyl)glycyl]amino}phenyl)amino and {2-methyl-5-[3-(trifluoromethyl)benzamido]benzoyl}nitrilo groups at positions 2 and 5, respectively. It is a covalent BTK inhibitor with potential anti-proliferative activity. It exhibits more potent anti-proliferative effects than ibrutinib in multiple cellular and in vivo preclinical models of B-cell lineage malignancy, including tumor cell lines and mouse xenograft models. 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 member of acrylamides, a member of benzamides, a member of toluenes, an aminopyrimidine, a secondary amino compound and a member of (trifluoromethyl)benzenes.
Source: ChEBI
| Molecular formula | C31H26F3N7O4 |
|---|---|
| Molecular weight | 617.6 g/mol |
| IUPAC name | 2-methyl-N-[2-[3-[[2-(prop-2-enoylamino)acetyl]amino]anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide |
| InChIKey | SMOPKEHQPPXRSH-UHFFFAOYSA-N |
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C(=O)NC3=CN=C(N=C3)NC4=CC(=CC=C4)NC(=O)CNC(=O)C=C |
Computed by PubChem (NCBI)