LLY-507

• CAT Number: I002321
• CAS Number: 1793053-37-8
• Molecular Formula: C36H42N6O
• Molecular Weight: 574.76
• Purity: ≥95%
• Synonyms: 3-cyano-5-[2-[4-[2-(3-methylindol-1-yl)ethyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
• InChI: InChI=1S/C36H42N6O/c1-28-27-42(34-11-4-2-9-32(28)34)22-19-40-17-20-41(21-18-40)35-12-5-3-10-33(35)30-23-29(26-37)24-31(25-30)36(43)38-13-8-16-39-14-6-7-15-39/h2-5,9-12,23-25,27H,6-8,13-22H2,1H3,(H,38,43)
• InChIKey: PNYRDVBFYVDJJI-UHFFFAOYSA-N
• SMILES: CC1=CN(C2=CC=CC=C12)CCN3CCN(CC3)C4=CC=CC=C4C5=CC(=CC(=C5)C#N)C(=O)NCCCN6CCCC6

LLY-507 is a potent and selective inhibitor of protein-lysine methyltransferase SMYD2. LLY-507 potently inhibits the ability of SMYD2 to methylate p53 peptide with an IC50 <15 nM. LLY-507 serves as a valuable chemical probe to aid in the dissection of SMYD2 function in cancer and other biological processes[1].
LLY-507 is >100-fold selective for SMYD2 over 21 other methyltransferases including SMYD3[1].
LLY-507 binds to the substrate channel of SMYD2 and supports the selectivity of its inhibition[1].
LY-507 is able to potently inhibit the methylation of H4 peptide by SMYD2 enzyme with an IC50 of 31 nM[1].
LLY-507 (0.03-20 μM; 28 hours) inhibits SMYD2-mediated methylation of p53 Lys370 in U2OS cells, with an IC50 of 0.6 μM[1].
LLY-507 (0-20 μM; 3-7 days) inhibits the proliferation of several ESCC, HCC, and breast cancer cell lines[1].

Reference

[1]. Nguyen H, et al. LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2. J Biol Chem. 2015 May 29;290(22):13641-13653.
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