(S)-PFI-2 (hydrochloride)

• 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

• CAS Number:

  1627607-88-8