Products 1819363-80-8

CAS 1819363-80-8 appears in our catalog under these names: PFI-3, PFI 3, PFI-3/ 99.71% (existing batch purity), PFI-3 99+%, PFI-3, 99+%, 99+%. Offered by: TRC, GLPBio, TargetMol, Ambeed, Chemat. Available pack sizes: 250mg, 10mg, 5mg, 10mM (in 1ml dmso), 50mg, 1mg, 2mg, 25mg.

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

PFI-3 is an azabicycloalkane that is (1R,4R)-2,5-diazabicyclo[2.2.1]heptane which is substituted at position 2 by a 3-(2-hydroxyphenyl)-3-oxoprop-1-en-1-yl group and at position 5 by a pyridin-2-yl group. It is a potent and selective inhibitor of polybromo 1 (Kd = 48 nM), SMARCA2 and SMARCA4 (Kd = 89 nM) bromodomains. It is a member of pyridines, a member of phenols, an azabicycloalkane and an enone.

Source: ChEBI

Identity
Molecular formulaC19H19N3O2
Molecular weight321.4 g/mol
IUPAC name(E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one
InChIKeyINAICWLVUAKEPB-QSTFCLMHSA-N
SMILESC1[C@@H]2CN([C@H]1CN2C3=CC=CC=N3)/C=C/C(=O)C4=CC=CC=C4O

Computed by PubChem (NCBI)