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LLY 507 - ≥98%(HPLC), high purity , CAS No.1793053-37-8, Inhibitor of SET and MYND domain containing 2
Basic Description Specifications & Purity Moligand™, ≥98%(HPLC) Biochemical and Physiological Mechanisms Potent SMYD2 inhibitor (IC50= 15 nM). Exhibits >100-fold selectivity for SMYD2 over 25 other methyltransferases including SMYD3, SUV420H1 and SUV420H2. Inhibits SMYD2-mediated p53 methylationin vitro. Also inhibits proliferation of a range of esophageal, Storage Temp Store at -20°C Shipped In Ice chest + Ice pads Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of SET and MYND domain containing 2
Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Names and Identifiers IUPAC Name 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) InChi Key PNYRDVBFYVDJJI-UHFFFAOYSA-N Canonical SMILES CC1=CN(C2=CC=CC=C12)CCN3CCN(CC3)C4=CC=CC=C4C5=CC(=CC(=C5)C#N)C(=O)NCCCN6CCCC6 Isomeric SMILES CC1=CN(C2=CC=CC=C12)CCN3CCN(CC3)C4=CC=CC=C4C5=CC(=CC(=C5)C#N)C(=O)NCCCN6CCCC6 PubChem CID 91623361 MeSH Entry Terms 3-cyano-5-(2-(4-(2-(3-methylindol-1-yl)ethyl)piperazin-1-yl)phenyl)-N-((3-pyrrolidin-1-yl)propyl)benzamide;LLY-507 Molecular Weight 574.76
Chemical and Physical Properties Solubility Solvent:1eq. HCl, Max Conc. mg/mL: 57.48, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 57.48, Max Conc. mM: 100
Safety and Hazards(GHS) Pictogram(s) GHS07 Signal Warning Hazard Statements H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
Precautionary Statements P261: Avoid breathing dust/fume/gas/mist/vapors/spray.
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.
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K2228491