LLY-507

Alternative_name

5-Cyano-2'-[4-[2-(3-methyl-1H-indol-1-yl)ethyl]-1-piperazinyl]-N-[3-(1-pyrrolidinyl)propyl]-[1,1'-biphenyl]-3-carboxamide
Description

LLY-507 is a potent, cell-permeable, small molecule inhibitor of SMYD2 (IC₅₀ = 15 nM), a lysine N-methyltransferase. It has been shown to inhibit p53 lysine monomethylation in KYSE-150 esophageal squamous cell carcinoma cells stably expressing SMYD2 with an IC₅₀ value of 0.6 µM. LLY-507 is >100-fold selective for SMYD2 over a panel of 27 protein methyltransferases and non-methyltransferase targets.
CAS Number

1793053-37-8
Structure Available

Yes
Salt Form

No
Molecular Formula

C₃₆H₄₂N₆O
Molecular Weight

574.8
Cell Permeable

Yes
Purity

≥98% by HPLC
Solubilities

DMSO (>30 mg/ml)
Handling

Protect from air and light
Tag Line

A potent, cell-permeable, small molecule inhibitor of SMYD2
Storage Condition

-20°C
Shipping Condition

gel pack
Shelf Life

36 months
SMILES

O=C(C1=CC(C2=CC=CC=C2N3CCN(CCN4C=C(C)C5=C4C=CC=C5)CC3)=CC(C#N)=C1)NCCCN6CCCC6
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)
InChi Key

PNYRDVBFYVDJJI-UHFFFAOYSA-N
Data Sheet Link
MSDS Available

Yes