(S)-PFI-2 (hydrochloride)

(S)-PFI-2 (hydrochloride)

• CAS Number: 1627607-88-8
• UNSPSC Description: (S)-PFI-2 hydrochloride is an inhibitor of lysine methyltransferase SETD7 and is approximately 500-fold more active than its enantiomer (R)-PFI-2. (R)-PFI-2 is a cofactor-dependent and substrate-competitive inhibitor. (R)-PFI-2 can occupy the substrate peptide binding groove of SETD7 (including the catalytic lysine binding channel) and interact with the cofactor The donor methyl group is in direct contact. However, (S)-PFI-2 was not observed to have the same interaction as (R)-PFI-2[1][2].
• Target Antigen: Others
• Type: Reference compound
• Related Pathways: Others
• Field of Research: Others
• Assay Protocol: https://www.medchemexpress.com/s-pfi-2-hydrochloride.html
• Solubility: 10 mM in DMSO
• Smiles: O=S(C1=CC2=C(CNCC2)C(F)=C1)(N[C@@H](CC3=CC=CC(C(F)(F)F)=C3)C(N4CCCC4)=O)=O.Cl
• Molecular Weight: 535.98
• References & Citations: [1]Niu Y, et al. Revealing inhibition difference between PFI-2 enantiomers against SETD7 by molecular dynamics simulations, binding free energy calculations and unbinding pathway analysis. Sci Rep. 2017 Apr 18;7:46547.|[2]Barsyte-Lovejoy D, et al. (R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells. Proc Natl Acad Sci U S A. 2014 Sep 2;111(35):12853-8.
• Shipping Conditions: Room temperature
• Clinical Information: No Development Reported